@<TRIPOS>MOLECULE

954 966 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
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219	O43    -5.8466     3.2838    -0.6933	O.2	1	noname	-0.2899
220	N38    -8.0865     3.5753    -0.4490	N.3	1	noname	-0.0662
221	C132    -8.1110     4.7827     0.3890	C.3	1	noname	0.0878
222	C133    -8.9432     5.9467    -0.1006	C.2	1	noname	0.0493
223	O44    -8.3291     6.9543    -0.5198	O.2	1	noname	-0.2900
224	N39   -10.3203     6.0277    -0.0450	N.3	1	noname	-0.0664
225	C134   -11.1439     7.1648    -0.4390	C.3	1	noname	0.0880
226	C135   -12.5781     6.7934    -0.6274	C.2	1	noname	0.0494
227	O45   -13.1609     6.2597     0.3467	O.2	1	noname	-0.2900
228	N40   -13.2807     7.1150    -1.7730	N.3	1	noname	-0.0662
229	C136   -14.7259     7.1521    -1.9024	C.3	1	noname	0.0903
230	C137   -15.1229     8.4234    -2.6125	C.2	1	noname	0.0543
231	O46   -15.3706     9.4004    -1.8627	O.2	1	noname	-0.2883
232	N41   -15.2683     8.6325    -3.9840	N.3	1	noname	-0.0560
233	C138   -14.7852     7.7366    -4.9957	C.3	1	noname	0.0067
234	C139   -14.7553     8.5563    -6.2952	C.3	1	noname	-0.0379
235	C140   -15.9242     9.5256    -6.0915	C.3	1	noname	-0.0274
236	C141   -15.8540     9.8257    -4.5769	C.3	1	noname	0.0907
237	C142   -17.1654    10.3247    -4.0667	C.2	1	noname	0.0494
238	O47   -17.8834     9.5625    -3.3779	O.2	1	noname	-0.2899
239	N42   -17.5811    11.5942    -4.3867	N.3	1	noname	-0.0663
240	C143   -18.8487    12.1993    -4.0617	C.3	1	noname	0.0880
241	C144   -18.6742    13.4720    -3.2983	C.2	1	noname	0.0494
242	O48   -19.0227    13.4859    -2.0931	O.2	1	noname	-0.2900
243	N43   -18.1920    14.6198    -3.8734	N.3	1	noname	-0.0661
244	C145   -17.9992    15.8871    -3.2063	C.3	1	noname	0.0918
245	C146   -17.7914    16.9672    -4.2085	C.2	1	noname	0.0495
246	O49   -18.5042    17.9973    -4.1596	O.2	1	noname	-0.2899
247	N44   -16.8199    16.8288    -5.1529	N.3	1	noname	-0.0660
248	C147   -16.4294    17.7600    -6.1866	C.3	1	noname	0.0918
249	C148   -14.9276    17.8998    -6.1499	C.2	1	noname	0.0495
250	O50   -14.3098    17.4520    -5.1551	O.2	1	noname	-0.2899
251	N45   -14.0405    18.5116    -6.9973	N.3	1	noname	-0.0663
252	C149   -14.1641    19.0396    -8.3253	C.3	1	noname	0.0878
253	C150   -13.1750    18.3760    -9.2256	C.2	1	noname	0.0499
254	O51   -13.2823    18.5805   -10.4589	O.2	1	noname	-0.2899
255	N46   -12.2510    17.4716    -8.7608	N.3	1	noname	-0.0647
256	C151   -11.6044    16.4548    -9.5445	C.3	1	noname	0.1135
257	C152   -10.1209    16.5857    -9.6630	C.2	1	noname	0.0508
258	O52    -9.6500    16.4241   -10.8133	O.2	1	noname	-0.2891
259	N47    -9.1196    16.7959    -8.7571	N.3	1	noname	-0.0650
260	C153   -12.0352    15.0222    -9.0906	C.3	1	noname	0.0755
261	C154   -13.5647    14.8357    -8.9206	C.3	1	noname	-0.0369
262	O53   -11.6064    14.0586   -10.0537	O.3	1	noname	-0.3911
263	C155   -14.0929    20.5956    -8.2890	C.3	1	noname	-0.0288
264	C156   -14.3134    21.2953    -9.6640	C.3	1	noname	-0.0501
265	C157   -14.7530    22.7856    -9.6126	C.3	1	noname	-0.0408
266	C158   -13.6836    23.7866    -9.1112	C.3	1	noname	-0.0076
267	N48   -13.5669    23.7903    -7.6484	N.3	1	noname	-0.3304
268	C159   -17.0848    17.2379    -7.5070	C.3	1	noname	-0.0035
269	C160   -18.5595    17.0179    -7.4141	C.2	1	noname	-0.0660
270	C161   -19.4347    18.1056    -7.1708	C.2	1	noname	-0.0475
271	C162   -20.8208    17.9030    -7.0422	C.2	1	noname	-0.0312
272	C163   -21.3609    16.6108    -7.1794	C.2	1	noname	-0.0019
273	C164   -20.5046    15.5269    -7.4475	C.2	1	noname	-0.0312
274	C165   -19.1160    15.7270    -7.5617	C.2	1	noname	-0.0475
275	O54   -22.6960    16.3988    -7.0596	O.3	1	noname	-0.2861
276	C166   -16.8018    15.8298    -2.2077	C.3	1	noname	-0.0035
277	C167   -16.5912    17.0626    -1.3972	C.2	1	noname	-0.0541
278	C168   -17.4871    17.3955    -0.3532	C.2	1	noname	-0.0567
279	C169   -17.2696    18.5332     0.4474	C.2	1	noname	-0.0604
280	C170   -16.1535    19.3562     0.2126	C.2	1	noname	-0.0616
281	C171   -15.2571    19.0417    -0.8240	C.2	1	noname	-0.0604
282	C172   -15.4749    17.9041    -1.6228	C.2	1	noname	-0.0567
283	C173   -19.6745    12.4206    -5.3677	C.3	1	noname	-0.0265
284	C174   -20.0538    11.1247    -6.1614	C.3	1	noname	-0.0451
285	C175   -20.6306    11.4742    -7.5621	C.3	1	noname	-0.0627
286	C176   -21.0478    10.2098    -5.3904	C.3	1	noname	-0.0627
287	C177   -15.4056     5.8303    -2.4261	C.3	1	noname	-0.0227
288	C178   -15.1477     4.6089    -1.5018	C.3	1	noname	-0.0608
289	C179   -16.9485     5.9836    -2.6080	C.3	1	noname	-0.0608
290	C180   -11.0390     8.3119     0.6266	C.3	1	noname	-0.0265
291	C181   -11.8514     9.6292     0.3442	C.3	1	noname	-0.0451
292	C182   -11.0567    10.9043     0.7480	C.3	1	noname	-0.0627
293	C183   -13.2427     9.6476     1.0415	C.3	1	noname	-0.0627
294	C184    -8.5382     4.4314     1.8445	C.3	1	noname	-0.0288
295	C185    -8.0654     5.3822     2.9871	C.3	1	noname	-0.0501
296	C186    -8.7008     6.7940     3.0222	C.3	1	noname	-0.0408
297	C187    -8.3692     7.5731     4.3179	C.3	1	noname	-0.0076
298	N49    -8.8649     8.9519     4.2392	N.3	1	noname	-0.3304
299	C188    -7.2594     1.9486    -3.3820	C.3	1	noname	0.0452
300	C189    -7.7987     0.8529    -4.2268	C.2	1	noname	0.0335
301	O55    -7.2097    -0.2417    -4.3582	O.2	1	noname	-0.2978
302	N50    -8.9284     1.0107    -4.9352	N.3	1	noname	-0.0903
303	N51    -3.9835    -1.2148    -0.4162	N.3	1	noname	-0.0658
304	C190    -3.5752    -2.2399     0.3905	C.2	1	noname	0.0495
305	O56    -3.6421    -3.4319     0.0096	O.2	1	noname	-0.2900
306	C191    -2.9927    -1.9182     1.7215	C.3	1	noname	0.0878
307	C192    -1.4309    -1.9514     1.7116	C.3	1	noname	-0.0288
308	C193    -0.7895    -1.2862     2.9630	C.3	1	noname	-0.0501
309	C194     0.7619    -1.2438     2.9013	C.3	1	noname	-0.0408
310	C195     1.3891    -0.5055     4.1088	C.3	1	noname	-0.0076
311	N52     2.8507    -0.4569     3.9910	N.3	1	noname	-0.3304
312	N53    -3.5832    -2.6451     2.8073	N.3	1	noname	-0.0666
313	C196    -3.4114    -3.9578     3.1368	C.2	1	noname	0.0490
314	O57    -2.7508    -4.7418     2.4152	O.2	1	noname	-0.2902
315	C197    -3.9945    -4.4659     4.4015	C.3	1	noname	0.0791
316	C198    -3.4119    -3.7144     5.6393	C.3	1	noname	-0.0271
317	C199    -3.9576    -4.1452     7.0407	C.3	1	noname	-0.0451
318	C200    -3.6444    -5.6280     7.3878	C.3	1	noname	-0.0627
319	C201    -3.4062    -3.2051     8.1510	C.3	1	noname	-0.0627
320	N54    -5.4537    -4.3335     4.3285	N.3	1	noname	-0.3203
321	C202    -1.5179     3.8278    -5.7359	C.2	1	noname	0.0498
322	O58    -0.8217     4.1596    -6.7262	O.2	1	noname	-0.2897
323	N55    -1.1538     4.2095    -4.4671	N.3	1	noname	-0.0659
324	C203    -0.0075     5.0180    -4.1421	C.3	1	noname	0.0918
325	C204    -0.2294     5.8084    -2.8977	C.2	1	noname	0.0495
326	O59    -0.2954     7.0536    -3.0207	O.2	1	noname	-0.2899
327	N56    -0.2723     5.1971    -1.6719	N.3	1	noname	-0.0663
328	C205    -0.0950     5.7839    -0.3612	C.3	1	noname	0.0878
329	C206    -0.4894     4.7739     0.6628	C.2	1	noname	0.0493
330	O60     0.3885     4.3927     1.4748	O.2	1	noname	-0.2900
331	N57    -1.7316     4.1908     0.6688	N.3	1	noname	-0.0664
332	C207    -2.0692     2.9529     1.3423	C.3	1	noname	0.0886
333	C208    -3.4583     2.9107     1.8965	C.2	1	noname	0.0494
334	O61    -4.2790     3.8122     1.6068	O.2	1	noname	-0.2900
335	N58    -3.8460     1.8416     2.6760	N.3	1	noname	-0.0661
336	C209    -5.1940     1.4825     3.0936	C.3	1	noname	0.0918
337	C210    -6.0275     1.0908     1.9004	C.2	1	noname	0.0495
338	O62    -5.3974     0.9393     0.8377	O.2	1	noname	-0.2899
339	N59    -7.3435     0.7409     1.6991	N.3	1	noname	-0.0663
340	C211    -8.4881     0.7532     2.5579	C.3	1	noname	0.0886
341	C212    -9.7166     1.2543     1.8524	C.2	1	noname	0.0494
342	O63   -10.6510     1.6372     2.5964	O.2	1	noname	-0.2900
343	N60    -9.8838     1.2778     0.4792	N.3	1	noname	-0.0662
344	C213   -11.1090     1.5708    -0.2484	C.3	1	noname	0.0901
345	C214   -11.1042     2.8383    -1.0690	C.2	1	noname	0.0500
346	O64   -11.8995     3.7133    -0.6616	O.2	1	noname	-0.2898
347	N61   -10.3684     3.1230    -2.2146	N.3	1	noname	-0.0648
348	C215   -10.5004     4.3359    -3.0221	C.3	1	noname	0.1109
349	C216    -9.2549     4.9321    -3.6400	C.2	1	noname	0.0505
350	O65    -9.2737     5.2254    -4.8584	O.2	1	noname	-0.2893
351	N62    -8.1167     5.2450    -2.9174	N.3	1	noname	-0.0653
352	C217    -6.9425     5.9774    -3.3515	C.3	1	noname	0.0960
353	C218    -5.9513     6.3064    -2.2656	C.2	1	noname	0.0495
354	O66    -5.0760     5.4766    -1.9238	O.2	1	noname	-0.2899
355	N63    -5.8666     7.5721    -1.7627	N.3	1	noname	-0.0662
356	C219    -4.6905     8.2239    -1.2325	C.3	1	noname	0.0878
357	C220    -4.5995     9.4746    -2.0378	C.2	1	noname	0.0493
358	O67    -4.7751    10.5993    -1.5079	O.2	1	noname	-0.2900
359	N64    -4.5028     9.3635    -3.3991	N.3	1	noname	-0.0664
360	C221    -5.1110    10.2836    -4.3229	C.3	1	noname	0.0886
361	C222    -6.5106     9.7872    -4.4574	C.2	1	noname	0.0494
362	O68    -7.1401     9.6837    -3.3791	O.2	1	noname	-0.2900
363	N65    -7.1335     9.4387    -5.6322	N.3	1	noname	-0.0662
364	C223    -8.4461     8.8242    -5.7699	C.3	1	noname	0.0903
365	C224    -9.4471     9.2599    -4.7372	C.2	1	noname	0.0543
366	O69   -10.0636     8.3392    -4.1441	O.2	1	noname	-0.2883
367	N66    -9.6460    10.5638    -4.3177	N.3	1	noname	-0.0560
368	C225    -9.2067    11.7462    -4.9944	C.3	1	noname	0.0067
369	C226    -8.7188    12.6663    -3.8587	C.3	1	noname	-0.0379
370	C227    -9.2298    12.0147    -2.5600	C.3	1	noname	-0.0274
371	C228   -10.1928    10.8918    -3.0254	C.3	1	noname	0.0907
372	C229   -11.6347    11.2241    -3.1433	C.2	1	noname	0.0495
373	O70   -12.3830    10.3267    -3.5999	O.2	1	noname	-0.2899
374	N67   -12.1329    12.4496    -2.7972	N.3	1	noname	-0.0661
375	C230   -13.4752    12.9054    -3.0072	C.3	1	noname	0.0901
376	C231   -14.0711    13.3550    -1.7250	C.2	1	noname	0.0494
377	O71   -15.2378    12.9882    -1.4444	O.2	1	noname	-0.2899
378	N68   -13.3732    14.1800    -0.8953	N.3	1	noname	-0.0663
379	C232   -13.8740    14.8180     0.2910	C.3	1	noname	0.0878
380	C233   -12.9252    15.9179     0.6249	C.2	1	noname	0.0493
381	O72   -12.6281    16.7322    -0.2840	O.2	1	noname	-0.2900
382	N69   -12.3776    16.0645     1.8699	N.3	1	noname	-0.0664
383	C234   -11.3936    17.0323     2.2619	C.3	1	noname	0.0878
384	C235   -11.8749    18.4179     2.0259	C.2	1	noname	0.0485
385	O73   -12.9130    18.8283     2.5982	O.2	1	noname	-0.2902
386	N70   -11.1868    19.2019     1.1569	N.3	1	noname	-0.0684
387	C236   -11.5355    20.5298     0.7664	C.3	1	noname	0.0766
388	C237   -10.8513    20.9599    -0.4717	C.2	1	noname	0.0479
389	O74   -11.0518    22.1335    -0.8653	O.2	1	noname	-0.2911
390	N71   -10.0332    20.1166    -1.1719	N.3	1	noname	-0.0668
391	C238   -10.9880    16.8241     3.7503	C.3	1	noname	-0.0276
392	C239   -10.3093    15.4521     4.0192	C.3	1	noname	-0.0382
393	C240    -9.8972    15.2746     5.5003	C.3	1	noname	0.0024
394	N72    -9.2773    14.0029     5.7072	N.3	1	noname	-0.1252
395	C241    -8.8223    13.5443     6.8702	C.2	1	noname	-0.1456
396	N73    -8.8904    14.1937     7.9709	N.2	1	noname	-0.2746
397	N74    -8.2739    12.3530     6.8947	N.3	1	noname	-0.1344
398	C242   -14.1555    13.7975     1.4447	C.3	1	noname	-0.0288
399	C243   -15.1186    14.3417     2.5391	C.3	1	noname	-0.0501
400	C244   -15.3580    13.3268     3.6892	C.3	1	noname	-0.0408
401	C245   -16.2975    13.8828     4.7868	C.3	1	noname	-0.0076
402	N75   -16.5129    12.8942     5.8493	N.3	1	noname	-0.3304
403	C246   -13.5788    13.9923    -4.1456	C.3	1	noname	-0.0227
404	C247   -12.3885    14.0154    -5.1393	C.3	1	noname	-0.0608
405	C248   -14.8763    13.8195    -4.9831	C.3	1	noname	-0.0608
406	C249    -8.9659     8.8575    -7.2516	C.3	1	noname	-0.0227
407	C250    -8.1044     7.9291    -8.1636	C.3	1	noname	-0.0608
408	C251   -10.4650     8.4595    -7.4036	C.3	1	noname	-0.0608
409	C252    -4.2930    10.4005    -5.6387	C.3	1	noname	-0.0197
410	C253    -2.8967    11.0408    -5.4225	C.3	1	noname	-0.0050
411	S9    -2.0514    11.3305    -7.0098	S.3	1	noname	-0.1652
412	C254    -0.4635    12.0733    -6.5295	C.3	1	noname	-0.0184
413	C255    -4.7943     8.4907     0.3020	C.3	1	noname	-0.0288
414	C256    -4.5607     7.2549     1.2137	C.3	1	noname	-0.0501
415	C257    -4.3279     7.6631     2.6958	C.3	1	noname	-0.0408
416	C258    -3.8915     6.4885     3.6058	C.3	1	noname	-0.0076
417	N76    -3.5948     6.9607     4.9640	N.3	1	noname	-0.3304
418	C259    -6.1697     5.3281    -4.5453	C.3	1	noname	0.0452
419	C260    -5.1870     6.2549    -5.1493	C.2	1	noname	0.0335
420	O75    -5.5359     7.0543    -6.0448	O.2	1	noname	-0.2978
421	N77    -3.8958     6.2674    -4.7694	N.3	1	noname	-0.0903
422	C261   -11.6642     4.0996    -4.0337	C.3	1	noname	0.0675
423	O76   -11.3565     3.0741    -4.9709	O.3	1	noname	-0.3941
424	C262   -11.6351     0.3012    -1.0078	C.3	1	noname	-0.0227
425	C263   -13.0624     0.5025    -1.6002	C.3	1	noname	-0.0608
426	C264   -10.6745    -0.2609    -2.0871	C.3	1	noname	-0.0608
427	C265    -8.7861    -0.6644     3.1370	C.3	1	noname	-0.0197
428	C266    -7.6414    -1.2677     3.9903	C.3	1	noname	-0.0050
429	S10    -8.1959    -2.6087     5.0952	S.3	1	noname	-0.1652
430	C267    -8.8479    -3.8817     3.9746	C.3	1	noname	-0.0184
431	C268    -5.7443     2.5401     4.1141	C.3	1	noname	-0.0035
432	C269    -6.2100     2.0086     5.4311	C.2	1	noname	-0.0541
433	C270    -5.3359     1.2433     6.2415	C.2	1	noname	-0.0567
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436	C273    -7.9311     1.7833     7.1708	C.2	1	noname	-0.0604
437	C274    -7.5113     2.2795     5.9228	C.2	1	noname	-0.0567
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443	C279    -0.4704     7.7609     1.3258	C.3	1	noname	-0.0501
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446	N78    -0.7254    11.3247     2.8191	N.3	1	noname	-0.3304
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448	C283     1.7782     3.6252    -5.3331	C.2	1	noname	-0.0660
449	C284     2.2611     4.5009    -6.3362	C.2	1	noname	-0.0475
450	C285     2.6569     4.0100    -7.5937	C.2	1	noname	-0.0312
451	C286     2.5938     2.6296    -7.8641	C.2	1	noname	-0.0019
452	C287     2.1494     1.7442    -6.8641	C.2	1	noname	-0.0312
453	C288     1.7445     2.2375    -5.6090	C.2	1	noname	-0.0475
454	O77     2.9566     2.1413    -9.0770	O.3	1	noname	-0.2861
455	C289    -5.5013     4.0130    -9.7016	C.3	1	noname	-0.0265
456	C290    -5.9843     3.9772   -11.1915	C.3	1	noname	-0.0451
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461	O78     0.3295     4.3712   -12.6778	O.2	1	noname	-0.2978
462	N79     1.4741     5.9490   -11.5916	N.3	1	noname	-0.0903
463	C295    -5.1989     9.8711   -10.2601	C.3	1	noname	-0.0288
464	C296    -6.0659    11.0962   -10.6911	C.3	1	noname	-0.0501
465	C297    -7.5721    10.7498   -10.8714	C.3	1	noname	-0.0408
466	C298    -8.5290    11.9646   -10.8071	C.3	1	noname	-0.0076
467	N80    -8.8159    12.3195    -9.4140	N.3	1	noname	-0.3304
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470	H2    -6.4972    22.8630     3.6507	H	1	noname	0.0230
471	H3    -8.0866    22.8630     2.8495	H	1	noname	0.0230
472	H4    -6.6095    22.5197     1.1031	H	1	noname	0.0267
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475	H7    -7.3437    19.5309     3.0950	H	1	noname	0.0234
476	H8    -8.2395    18.6491     1.8347	H	1	noname	0.0234
477	H9    -6.4596    18.6374     1.8347	H	1	noname	0.0234
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479	H11    -4.8701    21.7847    -0.7410	H	1	noname	0.1319
480	H12    -2.9110    20.0760     0.3348	H	1	noname	0.0571
481	H13    -1.2745    21.9487    -0.3181	H	1	noname	0.0394
482	H14    -2.7763    22.7912    -1.0920	H	1	noname	0.0394
483	H15    -3.4079    24.2182     1.9274	H	1	noname	0.2213
484	H16    -1.9342    19.6012    -3.5388	H	1	noname	0.1319
485	H17    -3.5278    21.9379    -3.0963	H	1	noname	0.0569
486	H18    -5.3097    20.3535    -3.0262	H	1	noname	0.0318
487	H19    -4.7269    18.2464    -3.6464	H	1	noname	0.0234
488	H20    -5.6416    18.6892    -5.1077	H	1	noname	0.0234
489	H21    -3.8642    18.7837    -5.1077	H	1	noname	0.0234
490	H22    -6.4363    21.8434    -4.3268	H	1	noname	0.0234
491	H23    -5.1596    21.8843    -5.5664	H	1	noname	0.0234
492	H24    -6.3583    20.5685    -5.5664	H	1	noname	0.0234
493	H25    -3.3471    23.3532    -4.7165	H	1	noname	0.1319
494	H26    -3.9508    23.6625    -6.8981	H	1	noname	0.0575
495	H27    -1.7440    21.9537    -7.8593	H	1	noname	0.0410
496	H28    -3.6114    21.6820    -7.9167	H	1	noname	0.0410
497	H29    -5.0062    25.4939    -8.6072	H	1	noname	0.0410
498	H30    -4.4945    25.7923   -10.3998	H	1	noname	0.0410
499	H31    -7.1897    24.8436   -10.0229	H	1	noname	0.0575
500	H32    -7.2922    27.1544   -11.4048	H	1	noname	0.1319
501	H33    -7.6974    27.0742   -13.5515	H	1	noname	0.0569
502	H34    -8.8354    25.3075   -14.2483	H	1	noname	0.1319
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504	H36    -8.5149    21.1093   -13.9536	H	1	noname	0.1319
505	H37    -7.5676    21.5996   -11.0582	H	1	noname	0.0566
506	H38    -9.7528    19.9242   -11.9872	H	1	noname	0.1318
507	H39    -6.1731    18.8796   -13.2567	H	1	noname	0.0569
508	H40    -6.5415    17.8275   -10.4500	H	1	noname	0.1319
509	H41    -4.9033    15.1527   -12.9846	H	1	noname	0.0566
510	H42    -4.6276    17.5945   -14.4618	H	1	noname	0.1318
511	H43    -1.0804    17.0905   -13.9897	H	1	noname	0.0566
512	H44    -2.8641    19.3403   -14.6856	H	1	noname	0.1318
513	H45    -0.0380    21.2164   -14.9320	H	1	noname	0.0590
514	H46    -1.3166    21.6937   -12.2975	H	1	noname	0.1319
515	H47    -0.3901    23.9630   -11.2862	H	1	noname	0.0590
516	H48     2.4579    23.9626   -12.0177	H	1	noname	0.1319
517	H49     1.3186    27.2732   -10.0083	H	1	noname	0.0566
518	H50     0.7760    24.7126    -8.8792	H	1	noname	0.1318
519	H51    -0.3382    26.3828    -5.8891	H	1	noname	0.0568
520	H52     2.3113    25.6987    -6.6530	H	1	noname	0.0288
521	H53     1.5893    25.3746    -4.9390	H	1	noname	0.0288
522	H54     1.9483    23.5687    -7.3086	H	1	noname	0.0280
523	H55     2.1414    23.2486    -5.4581	H	1	noname	0.0280
524	H56    -0.0604    22.5601    -6.9897	H	1	noname	0.0436
525	H57    -0.1044    23.0518    -5.1675	H	1	noname	0.0436
526	H58    -0.5675    26.1559   -11.8950	H	1	noname	0.0287
527	H59    -1.3229    26.6358   -10.2326	H	1	noname	0.0287
528	H60    -0.4581    28.8206   -10.5135	H	1	noname	0.0268
529	H61     0.1618    28.3223   -12.2257	H	1	noname	0.0268
530	H62    -2.0271    28.1202   -12.9781	H	1	noname	0.0279
531	H63    -2.6733    28.5497   -11.2570	H	1	noname	0.0279
532	H64    -1.8345    30.7415   -11.4974	H	1	noname	0.0425
533	H65    -1.2186    30.3091   -13.2289	H	1	noname	0.0425
534	H66    -3.4184    31.5456   -13.1742	H	1	noname	0.1184
535	H67    -3.9352    29.8743   -13.1742	H	1	noname	0.1184
536	H68     1.0371    22.7671    -9.5418	H	1	noname	0.0585
537	H69    -0.0289    21.5508   -10.5156	H	1	noname	0.0585
538	H70     2.3900    21.2355   -10.0088	H	1	noname	0.2101
539	H71    -2.2234    21.1442   -16.0281	H	1	noname	0.0585
540	H72    -2.9853    21.7206   -14.3998	H	1	noname	0.0585
541	H73    -1.8181    23.5768   -14.6673	H	1	noname	0.2101
542	H74    -3.2156    17.2798   -16.1897	H	1	noname	0.0290
543	H75    -1.3448    17.3297   -16.4385	H	1	noname	0.0290
544	H76    -2.9547    14.9570   -15.5235	H	1	noname	0.0298
545	H77    -0.7389    14.6683   -14.7638	H	1	noname	0.0233
546	H78    -0.8313    13.7205   -16.2676	H	1	noname	0.0233
547	H79    -0.0398    15.3148   -16.2676	H	1	noname	0.0233
548	H80    -2.6504    14.0256   -17.8176	H	1	noname	0.0233
549	H81    -3.5861    15.5389   -17.8703	H	1	noname	0.0233
550	H82    -1.8671    15.5389   -18.3321	H	1	noname	0.0233
551	H83    -7.3446    15.2947   -13.5905	H	1	noname	0.0290
552	H84    -6.9250    16.9444   -14.4070	H	1	noname	0.0290
553	H85    -5.4873    15.6777   -15.9182	H	1	noname	0.0298
554	H86    -5.9256    13.4529   -14.2360	H	1	noname	0.0233
555	H87    -6.7466    13.0660   -15.7672	H	1	noname	0.0233
556	H88    -5.0191    13.4950   -15.7672	H	1	noname	0.0233
557	H89    -8.4897    15.4119   -15.8521	H	1	noname	0.0233
558	H90    -7.4521    16.1985   -17.0658	H	1	noname	0.0233
559	H91    -7.6367    14.4282   -17.0658	H	1	noname	0.0233
560	H92    -5.9138    20.4660   -10.7701	H	1	noname	0.0318
561	H93    -5.1096    22.1816   -12.2083	H	1	noname	0.0234
562	H94    -4.3981    21.0190   -13.3530	H	1	noname	0.0234
563	H95    -6.1547    21.3065   -13.3530	H	1	noname	0.0234
564	H96    -3.9155    19.5201   -10.2446	H	1	noname	0.0234
565	H97    -3.8975    18.5633   -11.7454	H	1	noname	0.0234
566	H98    -3.2746    20.2307   -11.7454	H	1	noname	0.0234
567	H99    -9.3812    22.9004    -9.9657	H	1	noname	0.0287
568	H100   -10.5999    21.6689   -10.7155	H	1	noname	0.0287
569	H101   -10.0724    20.0940    -9.2269	H	1	noname	0.0268
570	H102    -8.4466    20.9428    -8.7790	H	1	noname	0.0268
571	H103    -9.4966    22.4351    -7.4442	H	1	noname	0.0279
572	H104   -11.1880    21.9771    -8.1467	H	1	noname	0.0279
573	H105   -11.0702    19.9186    -6.9590	H	1	noname	0.0425
574	H106    -9.4656    20.5158    -6.1634	H	1	noname	0.0425
575	H107   -10.7715    21.6544    -4.6859	H	1	noname	0.1184
576	H108   -12.1776    21.6544    -5.7267	H	1	noname	0.1184
577	H109    -9.5212    24.0421   -16.4891	H	1	noname	0.0337
578	H110   -10.2005    22.3312   -16.0699	H	1	noname	0.0337
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580	H112   -13.1212    23.0682   -12.4881	H	1	noname	0.0650
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584	H116    -5.2306    26.1416   -15.0040	H	1	noname	0.0318
585	H117    -6.9380    26.3195   -16.6902	H	1	noname	0.0234
586	H118    -7.5796    27.8226   -15.9850	H	1	noname	0.0234
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590	H122    -5.8220    29.0524   -14.5745	H	1	noname	0.0234
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631	H163    -1.6304    32.3735    -7.3322	H	1	noname	0.0383
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666	H198    -3.5163     0.3013    -2.5751	H	1	noname	0.0410
667	H199    -4.8033    -2.3331    -1.9685	H	1	noname	0.0575
668	H200    -4.9912     1.2442    -1.7848	H	1	noname	0.1319
669	H201    -7.9238     1.1075    -1.4206	H	1	noname	0.0571
670	H202    -8.9671     3.1488    -0.6993	H	1	noname	0.1318
671	H203    -7.0778     5.1130     0.2819	H	1	noname	0.0566
672	H204   -10.7589     5.1906     0.3114	H	1	noname	0.1318
673	H205   -10.7544     7.4433    -1.4182	H	1	noname	0.0566
674	H206   -12.6995     7.3376    -2.5684	H	1	noname	0.1319
675	H207   -15.0698     7.2340    -0.8714	H	1	noname	0.0569
676	H208   -13.7617     7.4820    -4.7205	H	1	noname	0.0436
677	H209   -15.5339     6.9508    -5.0964	H	1	noname	0.0436
678	H210   -13.8315     9.1345    -6.3151	H	1	noname	0.0280
679	H211   -15.0014     7.8936    -7.1248	H	1	noname	0.0280
680	H212   -15.7005    10.4442    -6.6339	H	1	noname	0.0288
681	H213   -16.8500     8.9861    -6.2918	H	1	noname	0.0288
682	H214   -15.2058    10.6354    -4.2418	H	1	noname	0.0568
683	H215   -16.8972    12.1275    -4.9044	H	1	noname	0.1318
684	H216   -19.3331    11.5005    -3.3797	H	1	noname	0.0566
685	H217   -17.9639    14.5256    -4.8528	H	1	noname	0.1319
686	H218   -18.9385    16.0766    -2.6868	H	1	noname	0.0569
687	H219   -16.3392    15.9436    -5.0791	H	1	noname	0.1319
688	H220   -16.7811    18.7735    -5.9936	H	1	noname	0.0569
689	H221   -13.1310    18.5870    -6.5647	H	1	noname	0.1318
690	H222   -15.1397    18.7393    -8.7078	H	1	noname	0.0566
691	H223   -12.0327    17.5600    -7.7787	H	1	noname	0.1319
692	H224   -11.9662    16.7085   -10.5409	H	1	noname	0.0593
693	H225    -8.2347    16.6781    -9.2296	H	1	noname	0.1319
694	H226   -11.5292    14.8090    -8.1490	H	1	noname	0.0619
695	H227   -13.8113    14.8057    -7.8592	H	1	noname	0.0257
696	H228   -14.0869    15.6686    -9.3914	H	1	noname	0.0257
697	H229   -13.8714    13.9018    -9.3914	H	1	noname	0.0257
698	H230   -11.2622    13.2851    -9.6010	H	1	noname	0.2105
699	H231   -14.9261    20.9125    -7.6617	H	1	noname	0.0287
700	H232   -13.0701    20.8354    -7.9985	H	1	noname	0.0287
701	H233   -13.3356    21.3007   -10.1455	H	1	noname	0.0268
702	H234   -15.1461    20.7660   -10.1273	H	1	noname	0.0268
703	H235   -14.9487    23.0673   -10.6472	H	1	noname	0.0279
704	H236   -15.5548    22.8274    -8.8753	H	1	noname	0.0279
705	H237   -12.7181    23.4337    -9.4736	H	1	noname	0.0425
706	H238   -14.0315    24.7861    -9.3722	H	1	noname	0.0425
707	H239   -12.6548    23.7916    -7.2146	H	1	noname	0.1184
708	H240   -14.3987    23.7916    -7.0755	H	1	noname	0.1184
709	H241   -16.9663    18.0286    -8.2479	H	1	noname	0.0337
710	H242   -16.6658    16.2491    -7.6934	H	1	noname	0.0337
711	H243   -19.0347    19.1156    -7.0809	H	1	noname	0.0626
712	H244   -21.4772    18.7485    -6.8361	H	1	noname	0.0650
713	H245   -20.9193    14.5261    -7.5675	H	1	noname	0.0650
714	H246   -18.4667    14.8757    -7.7661	H	1	noname	0.0626
715	H247   -22.9319    16.3613    -6.1298	H	1	noname	0.2181
716	H248   -17.0462    15.0587    -1.4772	H	1	noname	0.0337
717	H249   -15.8996    15.7410    -2.8129	H	1	noname	0.0337
718	H250   -18.3569    16.7667    -0.1630	H	1	noname	0.0625
719	H251   -17.9659    18.7770     1.2497	H	1	noname	0.0622
720	H252   -15.9836    20.2362     0.8330	H	1	noname	0.0622
721	H253   -14.3930    19.6800    -1.0085	H	1	noname	0.0622
722	H254   -14.7726    17.6725    -2.4236	H	1	noname	0.0625
723	H255   -20.6218    12.8494    -5.0408	H	1	noname	0.0290
724	H256   -19.0199    12.9867    -6.0304	H	1	noname	0.0290
725	H257   -19.1309    10.5589    -6.2886	H	1	noname	0.0298
726	H258   -20.8534    10.5545    -8.1031	H	1	noname	0.0233
727	H259   -21.5444    12.0566    -7.4438	H	1	noname	0.0233
728	H260   -19.8985    12.0566    -8.1216	H	1	noname	0.0233
729	H261   -20.9051    10.3411    -4.3177	H	1	noname	0.0233
730	H262   -22.0701    10.4784    -5.6565	H	1	noname	0.0233
731	H263   -20.8646     9.1688    -5.6565	H	1	noname	0.0233
732	H264   -14.9429     5.6365    -3.3938	H	1	noname	0.0318
733	H265   -15.2137     4.9214    -0.4597	H	1	noname	0.0234
734	H266   -15.8950     3.8401    -1.6986	H	1	noname	0.0234
735	H267   -14.1534     4.2078    -1.6986	H	1	noname	0.0234
736	H268   -17.4267     6.0311    -1.6297	H	1	noname	0.0234
737	H269   -17.1600     6.8990    -3.1607	H	1	noname	0.0234
738	H270   -17.3360     5.1278    -3.1607	H	1	noname	0.0234
739	H271   -11.4762     7.8962     1.5344	H	1	noname	0.0290
740	H272    -9.9919     8.6145     0.6150	H	1	noname	0.0290
741	H273   -12.0191     9.6478    -0.7326	H	1	noname	0.0298
742	H274   -11.0122    10.9757     1.8347	H	1	noname	0.0233
743	H275   -10.0453    10.8445     0.3461	H	1	noname	0.0233
744	H276   -11.5559    11.7859     0.3461	H	1	noname	0.0233
745	H277   -13.1072     9.6458     2.1230	H	1	noname	0.0233
746	H278   -13.7859    10.5449     0.7449	H	1	noname	0.0233
747	H279   -13.8095     8.7651     0.7449	H	1	noname	0.0233
748	H280    -9.6256     4.5078     1.8449	H	1	noname	0.0287
749	H281    -8.0590     3.4755     2.0556	H	1	noname	0.0287
750	H282    -8.3860     4.9037     3.9125	H	1	noname	0.0268
751	H283    -7.0051     5.5529     2.8007	H	1	noname	0.0268
752	H284    -8.2384     7.3528     2.2085	H	1	noname	0.0279
753	H285    -9.7796     6.6386     3.0324	H	1	noname	0.0279
754	H286    -8.9277     7.1082     5.1303	H	1	noname	0.0425
755	H287    -7.2842     7.6563     4.3802	H	1	noname	0.0425
756	H288    -8.2124     9.7223     4.2122	H	1	noname	0.1184
757	H289    -9.8586     9.1305     4.2122	H	1	noname	0.1184
758	H290    -8.0127     2.7334    -3.4513	H	1	noname	0.0382
759	H291    -6.2572     2.1190    -3.7751	H	1	noname	0.0382
760	H292    -9.2324     1.9363    -5.2016	H	1	noname	0.1271
761	H293    -9.4742     0.2037    -5.2016	H	1	noname	0.1271
762	H294    -3.8557    -0.3036     0.0004	H	1	noname	0.1319
763	H295    -3.3525    -0.9168     1.9576	H	1	noname	0.0566
764	H296    -1.1525    -3.0042     1.7587	H	1	noname	0.0287
765	H297    -1.1229    -1.3437     0.8608	H	1	noname	0.0287
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767	H299    -1.0388    -1.9293     3.8070	H	1	noname	0.0268
768	H300     1.0964    -2.2787     2.9749	H	1	noname	0.0279
769	H301     1.0141    -0.6508     2.0222	H	1	noname	0.0279
770	H302     1.0586     0.5322     4.0643	H	1	noname	0.0425
771	H303     1.1882    -1.1039     4.9974	H	1	noname	0.0425
772	H304     3.3828    -1.3144     3.9504	H	1	noname	0.1184
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774	H306    -4.2126    -2.1615     3.4318	H	1	noname	0.1318
775	H307    -3.7701    -5.5299     4.4777	H	1	noname	0.0559
776	H308    -2.3517    -3.9671     5.6537	H	1	noname	0.0290
777	H309    -3.7233    -2.6771     5.5161	H	1	noname	0.0290
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779	H311    -3.6186    -5.7500     8.4707	H	1	noname	0.0233
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781	H313    -2.6767    -5.9028     6.9681	H	1	noname	0.0233
782	H314    -3.0013    -3.8043     8.9664	H	1	noname	0.0233
783	H315    -2.6185    -2.5761     7.7363	H	1	noname	0.0233
784	H316    -4.2127    -2.5761     8.5280	H	1	noname	0.0233
785	H317    -5.8770    -3.4168     4.3034	H	1	noname	0.1191
786	H318    -6.0350    -5.1591     4.3034	H	1	noname	0.1191
787	H319    -1.7626     3.8774    -3.7328	H	1	noname	0.1319
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793	H325    -3.0689     1.2669     2.9690	H	1	noname	0.1319
794	H326    -5.1609     0.5383     3.6373	H	1	noname	0.0569
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796	H328    -8.1922     1.4727     3.3212	H	1	noname	0.0566
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801	H333    -8.1463     4.9008    -1.9683	H	1	noname	0.1319
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808	H340    -8.2482     7.7940    -5.4739	H	1	noname	0.0569
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813	H345    -8.3780    11.5421    -2.0709	H	1	noname	0.0288
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816	H348   -11.4618    13.0614    -2.3551	H	1	noname	0.1319
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821	H353   -10.5573    16.8669     1.5826	H	1	noname	0.0566
822	H354   -10.3589    18.7677     0.7748	H	1	noname	0.1316
823	H355   -12.6011    20.4947     0.5400	H	1	noname	0.0529
824	H356   -11.1692    21.1727     1.5668	H	1	noname	0.0529
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835	H367    -7.2683    12.2602     6.9042	H	1	noname	0.1267
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848	H380   -12.4215    13.1246    -5.7666	H	1	noname	0.0234
849	H381   -12.4560    14.9042    -5.7666	H	1	noname	0.0234
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851	H383   -15.0227    14.6978    -5.6117	H	1	noname	0.0234
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862	H394    -3.1269    12.0001    -4.9591	H	1	noname	0.0380
863	H395    -2.3535    10.2806    -4.8611	H	1	noname	0.0380
864	H396    -0.3921    12.1067    -5.4423	H	1	noname	0.0343
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868	H400    -5.8281     8.7881     0.4779	H	1	noname	0.0287
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871	H403    -3.4884     8.3583     2.6862	H	1	noname	0.0279
872	H404    -5.2983     7.9856     3.0731	H	1	noname	0.0279
873	H405    -4.7469     5.8210     3.7096	H	1	noname	0.0425
874	H406    -2.9471     6.1078     3.2168	H	1	noname	0.0425
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876	H408    -4.3473     7.1231     5.6178	H	1	noname	0.1184
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878	H410    -6.8983     5.1332    -5.3322	H	1	noname	0.0382
879	H411    -3.4028     5.3975    -4.6269	H	1	noname	0.1271
880	H412    -3.4198     7.1467    -4.6269	H	1	noname	0.1271
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883	H415   -11.1159     2.2726    -4.5006	H	1	noname	0.2101
884	H416   -11.6853    -0.4672    -0.2364	H	1	noname	0.0318
885	H417   -13.7820     0.6040    -0.7878	H	1	noname	0.0234
886	H418   -13.0775     1.4034    -2.2136	H	1	noname	0.0234
887	H419   -13.3261    -0.3591    -2.2136	H	1	noname	0.0234
888	H420    -9.8319    -0.7539    -1.6023	H	1	noname	0.0234
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890	H422   -10.3086     0.5562    -2.7089	H	1	noname	0.0234
891	H423    -9.6238    -0.5346     3.8222	H	1	noname	0.0296
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893	H425    -6.9724    -1.6844     3.2374	H	1	noname	0.0380
894	H426    -7.3196    -0.4210     4.5966	H	1	noname	0.0380
895	H427    -9.2672    -4.7004     4.5594	H	1	noname	0.0343
896	H428    -9.6260    -3.4485     3.3460	H	1	noname	0.0343
897	H429    -8.0417    -4.2599     3.3460	H	1	noname	0.0343
898	H430    -4.9042     3.1870     4.3667	H	1	noname	0.0337
899	H431    -6.6413     2.9631     3.6620	H	1	noname	0.0337
900	H432    -4.3218     1.0356     5.9002	H	1	noname	0.0625
901	H433    -5.0735     0.1442     8.0916	H	1	noname	0.0622
902	H434    -7.3770     0.6284     8.9195	H	1	noname	0.0622
903	H435    -8.9376     1.9950     7.5319	H	1	noname	0.0622
904	H436    -8.2017     2.8802     5.3306	H	1	noname	0.0625
905	H437    -2.1997     0.8947     0.7839	H	1	noname	0.0296
906	H438    -2.3697     2.1509    -0.6151	H	1	noname	0.0296
907	H439    -0.0671     2.5124    -0.5040	H	1	noname	0.0380
908	H440     0.0487     1.1338     0.7807	H	1	noname	0.0380
909	H441     2.0337     0.1294    -0.8286	H	1	noname	0.0343
910	H442     1.6943    -0.7366    -2.3462	H	1	noname	0.0343
911	H443     1.8341     1.0379    -2.3462	H	1	noname	0.0343
912	H444    -0.1827     7.8699    -0.7791	H	1	noname	0.0287
913	H445    -1.7871     7.0654    -0.1935	H	1	noname	0.0287
914	H446    -1.2118     7.2851     1.9677	H	1	noname	0.0268
915	H447     0.5921     7.6304     1.5309	H	1	noname	0.0268
916	H448    -0.0043     9.7627     0.7664	H	1	noname	0.0279
917	H449    -1.8052     9.4173     1.2153	H	1	noname	0.0279
918	H450    -1.2650     9.4621     3.4852	H	1	noname	0.0425
919	H451     0.5535     9.7405     3.0611	H	1	noname	0.0425
920	H452     0.0622    11.9570     2.8171	H	1	noname	0.1184
921	H453    -1.6668    11.6907     2.8171	H	1	noname	0.1184
922	H454     2.0870     4.8429    -3.7004	H	1	noname	0.0337
923	H455     1.0503     3.2875    -3.4357	H	1	noname	0.0337
924	H456     2.3293     5.5704    -6.1370	H	1	noname	0.0626
925	H457     3.0128     4.6997    -8.3591	H	1	noname	0.0650
926	H458     2.1187     0.6728    -7.0622	H	1	noname	0.0650
927	H459     1.4023     1.5397    -4.8448	H	1	noname	0.0626
928	H460     2.9488     1.1817    -9.0510	H	1	noname	0.2181
929	H461    -5.8201     3.0642    -9.2702	H	1	noname	0.0290
930	H462    -5.8806     4.9509    -9.2960	H	1	noname	0.0290
931	H463    -5.5382     4.8405   -11.6852	H	1	noname	0.0298
932	H464    -7.9485     4.1163   -10.2645	H	1	noname	0.0233
933	H465    -7.8061     4.9984   -11.8039	H	1	noname	0.0233
934	H466    -7.9318     3.2229   -11.8039	H	1	noname	0.0233
935	H467    -5.1899     1.9517   -11.2554	H	1	noname	0.0233
936	H468    -6.2986     2.3412   -12.5923	H	1	noname	0.0233
937	H469    -4.6415     2.9910   -12.5923	H	1	noname	0.0233
938	H470    -1.5448     5.8525   -12.9196	H	1	noname	0.0382
939	H471    -0.4136     7.3560   -12.7639	H	1	noname	0.0382
940	H472     2.1972     5.2840   -11.3570	H	1	noname	0.1271
941	H473     1.5898     6.9245   -11.3570	H	1	noname	0.1271
942	H474    -5.6554     9.0027   -10.7350	H	1	noname	0.0287
943	H475    -5.1292     9.9245    -9.1736	H	1	noname	0.0287
944	H476    -6.0194    11.8040    -9.8636	H	1	noname	0.0268
945	H477    -5.7063    11.3871   -11.6781	H	1	noname	0.0268
946	H478    -7.6661    10.3575   -11.8841	H	1	noname	0.0279
947	H479    -7.8359    10.1249   -10.0182	H	1	noname	0.0279
948	H480    -7.9999    12.8213   -11.2245	H	1	noname	0.0425
949	H481    -9.4832    11.6532   -11.2323	H	1	noname	0.0425
950	H482    -8.0580    12.4417    -8.7577	H	1	noname	0.1184
951	H483    -9.7714    12.4417    -9.1105	H	1	noname	0.1184
952	H484    -1.3859    16.4934    -5.8635	H	1	noname	0.0251
953	H485    -0.2177    16.4083    -7.2038	H	1	noname	0.0251
954	H486    -1.4826    17.6606    -7.2038	H	1	noname	0.0251
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	3	4	1
4	3	5	1
5	5	6	1
6	6	7	2
7	6	8	1
8	8	9	1
9	9	10	1
10	10	11	1
11	11	12	2
12	11	13	1
13	9	14	1
14	14	15	2
15	14	16	1
16	16	17	1
17	17	18	1
18	18	19	1
19	18	20	1
20	17	21	1
21	21	22	2
22	21	23	1
23	23	24	1
24	24	25	1
25	25	26	1
26	26	27	1
27	27	28	1
28	28	29	1
29	29	30	1
30	30	31	1
31	31	32	2
32	31	33	1
33	33	34	1
34	34	35	1
35	35	36	2
36	35	37	1
37	37	38	1
38	38	39	1
39	39	40	2
40	39	41	1
41	41	42	1
42	42	43	1
43	43	44	2
44	43	45	1
45	45	46	1
46	46	47	1
47	47	48	2
48	47	49	1
49	49	50	1
50	50	51	1
51	51	52	2
52	51	53	1
53	53	54	1
54	54	55	1
55	55	56	2
56	55	57	1
57	57	58	1
58	58	59	1
59	59	60	2
60	59	61	1
61	61	62	1
62	62	63	1
63	63	64	2
64	63	65	1
65	65	66	1
66	66	67	1
67	67	68	2
68	67	69	1
69	69	70	1
70	70	71	1
71	71	72	1
72	72	73	1
73	69	73	1
74	73	74	1
75	24	74	1
76	74	75	2
77	65	76	1
78	76	77	1
79	77	78	1
80	78	79	1
81	79	80	1
82	61	81	1
83	81	82	1
84	57	83	1
85	83	84	1
86	53	85	1
87	85	86	1
88	86	87	1
89	86	88	1
90	49	89	1
91	89	90	1
92	90	91	1
93	90	92	1
94	45	93	1
95	93	94	1
96	93	95	1
97	41	96	1
98	96	97	1
99	97	98	1
100	98	99	1
101	99	100	1
102	37	101	1
103	101	102	1
104	102	103	2
105	103	104	1
106	104	105	2
107	105	106	1
108	106	107	2
109	102	107	1
110	105	108	1
111	33	109	1
112	109	110	1
113	109	111	1
114	29	112	1
115	112	113	2
116	112	114	1
117	114	115	1
118	115	116	1
119	116	117	1
120	117	118	1
121	118	119	1
122	119	120	1
123	120	121	1
124	121	122	1
125	122	123	2
126	122	124	1
127	124	125	1
128	125	126	1
129	126	127	2
130	126	128	1
131	128	129	1
132	129	130	1
133	130	131	2
134	130	132	1
135	132	133	1
136	133	134	1
137	134	135	2
138	134	136	1
139	136	137	1
140	137	138	1
141	115	138	1
142	138	139	2
143	136	140	1
144	140	141	1
145	141	142	2
146	141	143	1
147	132	144	1
148	144	145	1
149	144	146	1
150	128	147	1
151	147	148	1
152	148	149	2
153	148	150	1
154	124	151	1
155	151	152	1
156	152	153	1
157	153	154	1
158	154	155	1
159	155	156	2
160	155	157	1
161	120	158	1
162	158	159	2
163	158	160	1
164	160	161	1
165	161	162	1
166	162	163	1
167	163	164	2
168	163	165	1
169	161	166	1
170	166	167	2
171	166	168	1
172	5	169	1
173	169	170	1
174	170	171	2
175	170	172	1
176	172	173	1
177	173	174	1
178	174	175	1
179	175	176	1
180	176	177	1
181	177	178	1
182	178	179	2
183	178	180	1
184	180	181	1
185	181	182	1
186	182	183	1
187	183	184	1
188	180	184	1
189	184	185	1
190	185	186	2
191	185	187	1
192	187	188	1
193	188	189	1
194	189	190	2
195	189	191	1
196	191	192	1
197	192	193	1
198	193	194	2
199	193	195	1
200	195	196	1
201	196	197	1
202	197	198	2
203	197	199	1
204	199	200	1
205	200	201	1
206	201	202	2
207	201	203	1
208	203	204	1
209	204	205	1
210	205	206	2
211	205	207	1
212	207	208	1
213	208	209	1
214	209	210	1
215	210	211	1
216	211	212	1
217	212	213	1
218	213	214	1
219	214	215	2
220	214	216	1
221	216	217	1
222	217	218	1
223	218	219	2
224	218	220	1
225	220	221	1
226	221	222	1
227	222	223	2
228	222	224	1
229	224	225	1
230	225	226	1
231	226	227	2
232	226	228	1
233	228	229	1
234	229	230	1
235	230	231	2
236	230	232	1
237	232	233	1
238	233	234	1
239	234	235	1
240	235	236	1
241	232	236	1
242	236	237	1
243	237	238	2
244	237	239	1
245	239	240	1
246	240	241	1
247	241	242	2
248	241	243	1
249	243	244	1
250	244	245	1
251	245	246	2
252	245	247	1
253	247	248	1
254	248	249	1
255	249	250	2
256	249	251	1
257	251	252	1
258	252	253	1
259	253	254	2
260	253	255	1
261	255	256	1
262	256	257	1
263	257	258	2
264	257	259	1
265	177	259	1
266	256	260	1
267	260	261	1
268	260	262	1
269	252	263	1
270	263	264	1
271	264	265	1
272	265	266	1
273	266	267	1
274	248	268	1
275	268	269	1
276	269	270	2
277	270	271	1
278	271	272	2
279	272	273	1
280	273	274	2
281	269	274	1
282	272	275	1
283	244	276	1
284	276	277	1
285	277	278	2
286	278	279	1
287	279	280	2
288	280	281	1
289	281	282	2
290	277	282	1
291	240	283	1
292	283	284	1
293	284	285	1
294	284	286	1
295	229	287	1
296	287	288	1
297	287	289	1
298	225	290	1
299	290	291	1
300	291	292	1
301	291	293	1
302	221	294	1
303	294	295	1
304	295	296	1
305	296	297	1
306	297	298	1
307	217	299	1
308	299	300	1
309	300	301	2
310	300	302	1
311	213	303	1
312	303	304	1
313	304	305	2
314	304	306	1
315	306	307	1
316	307	308	1
317	308	309	1
318	309	310	1
319	310	311	1
320	306	312	1
321	312	313	1
322	313	314	2
323	313	315	1
324	315	316	1
325	316	317	1
326	317	318	1
327	317	319	1
328	315	320	1
329	208	321	1
330	321	322	2
331	321	323	1
332	323	324	1
333	324	325	1
334	325	326	2
335	325	327	1
336	327	328	1
337	328	329	1
338	329	330	2
339	329	331	1
340	331	332	1
341	332	333	1
342	333	334	2
343	333	335	1
344	335	336	1
345	336	337	1
346	337	338	2
347	337	339	1
348	339	340	1
349	340	341	1
350	341	342	2
351	341	343	1
352	343	344	1
353	344	345	1
354	345	346	2
355	345	347	1
356	347	348	1
357	348	349	1
358	349	350	2
359	349	351	1
360	351	352	1
361	352	353	1
362	353	354	2
363	353	355	1
364	355	356	1
365	356	357	1
366	357	358	2
367	357	359	1
368	359	360	1
369	360	361	1
370	361	362	2
371	361	363	1
372	363	364	1
373	364	365	1
374	365	366	2
375	365	367	1
376	367	368	1
377	368	369	1
378	369	370	1
379	370	371	1
380	367	371	1
381	371	372	1
382	372	373	2
383	372	374	1
384	374	375	1
385	375	376	1
386	376	377	2
387	376	378	1
388	378	379	1
389	379	380	1
390	380	381	2
391	380	382	1
392	382	383	1
393	383	384	1
394	384	385	2
395	384	386	1
396	386	387	1
397	387	388	1
398	388	389	2
399	388	390	1
400	172	390	1
401	383	391	1
402	391	392	1
403	392	393	1
404	393	394	1
405	394	395	1
406	395	396	2
407	395	397	1
408	379	398	1
409	398	399	1
410	399	400	1
411	400	401	1
412	401	402	1
413	375	403	1
414	403	404	1
415	403	405	1
416	364	406	1
417	406	407	1
418	406	408	1
419	360	409	1
420	409	410	1
421	410	411	1
422	411	412	1
423	356	413	1
424	413	414	1
425	414	415	1
426	415	416	1
427	416	417	1
428	352	418	1
429	418	419	1
430	419	420	2
431	419	421	1
432	348	422	1
433	422	423	1
434	344	424	1
435	424	425	1
436	424	426	1
437	340	427	1
438	427	428	1
439	428	429	1
440	429	430	1
441	336	431	1
442	431	432	1
443	432	433	2
444	433	434	1
445	434	435	2
446	435	436	1
447	436	437	2
448	432	437	1
449	332	438	1
450	438	439	1
451	439	440	1
452	440	441	1
453	328	442	1
454	442	443	1
455	443	444	1
456	444	445	1
457	445	446	1
458	324	447	1
459	447	448	1
460	448	449	2
461	449	450	1
462	450	451	2
463	451	452	1
464	452	453	2
465	448	453	1
466	451	454	1
467	204	455	1
468	455	456	1
469	456	457	1
470	456	458	1
471	200	459	1
472	459	460	1
473	460	461	2
474	460	462	1
475	196	463	1
476	463	464	1
477	464	465	1
478	465	466	1
479	466	467	1
480	188	468	1
481	1	469	1
482	1	470	1
483	1	471	1
484	2	472	1
485	2	473	1
486	3	474	1
487	4	475	1
488	4	476	1
489	4	477	1
490	5	478	1
491	8	479	1
492	9	480	1
493	10	481	1
494	10	482	1
495	13	483	1
496	16	484	1
497	17	485	1
498	18	486	1
499	19	487	1
500	19	488	1
501	19	489	1
502	20	490	1
503	20	491	1
504	20	492	1
505	23	493	1
506	24	494	1
507	25	495	1
508	25	496	1
509	28	497	1
510	28	498	1
511	29	499	1
512	30	500	1
513	33	501	1
514	34	502	1
515	37	503	1
516	38	504	1
517	41	505	1
518	42	506	1
519	45	507	1
520	46	508	1
521	49	509	1
522	50	510	1
523	53	511	1
524	54	512	1
525	57	513	1
526	58	514	1
527	61	515	1
528	62	516	1
529	65	517	1
530	66	518	1
531	69	519	1
532	70	520	1
533	70	521	1
534	71	522	1
535	71	523	1
536	72	524	1
537	72	525	1
538	76	526	1
539	76	527	1
540	77	528	1
541	77	529	1
542	78	530	1
543	78	531	1
544	79	532	1
545	79	533	1
546	80	534	1
547	80	535	1
548	81	536	1
549	81	537	1
550	82	538	1
551	83	539	1
552	83	540	1
553	84	541	1
554	85	542	1
555	85	543	1
556	86	544	1
557	87	545	1
558	87	546	1
559	87	547	1
560	88	548	1
561	88	549	1
562	88	550	1
563	89	551	1
564	89	552	1
565	90	553	1
566	91	554	1
567	91	555	1
568	91	556	1
569	92	557	1
570	92	558	1
571	92	559	1
572	93	560	1
573	94	561	1
574	94	562	1
575	94	563	1
576	95	564	1
577	95	565	1
578	95	566	1
579	96	567	1
580	96	568	1
581	97	569	1
582	97	570	1
583	98	571	1
584	98	572	1
585	99	573	1
586	99	574	1
587	100	575	1
588	100	576	1
589	101	577	1
590	101	578	1
591	103	579	1
592	104	580	1
593	106	581	1
594	107	582	1
595	108	583	1
596	109	584	1
597	110	585	1
598	110	586	1
599	110	587	1
600	111	588	1
601	111	589	1
602	111	590	1
603	114	591	1
604	115	592	1
605	116	593	1
606	116	594	1
607	119	595	1
608	119	596	1
609	120	597	1
610	121	598	1
611	124	599	1
612	125	600	1
613	128	601	1
614	129	602	1
615	132	603	1
616	133	604	1
617	136	605	1
618	137	606	1
619	140	607	1
620	140	608	1
621	143	609	1
622	143	610	1
623	144	611	1
624	145	612	1
625	145	613	1
626	145	614	1
627	146	615	1
628	147	616	1
629	147	617	1
630	150	618	1
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633	152	621	1
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635	153	623	1
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640	157	628	1
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675	209	663	1
676	209	664	1
677	212	665	1
678	212	666	1
679	213	667	1
680	216	668	1
681	217	669	1
682	220	670	1
683	221	671	1
684	224	672	1
685	225	673	1
686	228	674	1
687	229	675	1
688	233	676	1
689	233	677	1
690	234	678	1
691	234	679	1
692	235	680	1
693	235	681	1
694	236	682	1
695	239	683	1
696	240	684	1
697	243	685	1
698	244	686	1
699	247	687	1
700	248	688	1
701	251	689	1
702	252	690	1
703	255	691	1
704	256	692	1
705	259	693	1
706	260	694	1
707	261	695	1
708	261	696	1
709	261	697	1
710	262	698	1
711	263	699	1
712	263	700	1
713	264	701	1
714	264	702	1
715	265	703	1
716	265	704	1
717	266	705	1
718	266	706	1
719	267	707	1
720	267	708	1
721	268	709	1
722	268	710	1
723	270	711	1
724	271	712	1
725	273	713	1
726	274	714	1
727	275	715	1
728	276	716	1
729	276	717	1
730	278	718	1
731	279	719	1
732	280	720	1
733	281	721	1
734	282	722	1
735	283	723	1
736	283	724	1
737	284	725	1
738	285	726	1
739	285	727	1
740	285	728	1
741	286	729	1
742	286	730	1
743	286	731	1
744	287	732	1
745	288	733	1
746	288	734	1
747	288	735	1
748	289	736	1
749	289	737	1
750	289	738	1
751	290	739	1
752	290	740	1
753	291	741	1
754	292	742	1
755	292	743	1
756	292	744	1
757	293	745	1
758	293	746	1
759	293	747	1
760	294	748	1
761	294	749	1
762	295	750	1
763	295	751	1
764	296	752	1
765	296	753	1
766	297	754	1
767	297	755	1
768	298	756	1
769	298	757	1
770	299	758	1
771	299	759	1
772	302	760	1
773	302	761	1
774	303	762	1
775	306	763	1
776	307	764	1
777	307	765	1
778	308	766	1
779	308	767	1
780	309	768	1
781	309	769	1
782	310	770	1
783	310	771	1
784	311	772	1
785	311	773	1
786	312	774	1
787	315	775	1
788	316	776	1
789	316	777	1
790	317	778	1
791	318	779	1
792	318	780	1
793	318	781	1
794	319	782	1
795	319	783	1
796	319	784	1
797	320	785	1
798	320	786	1
799	323	787	1
800	324	788	1
801	327	789	1
802	328	790	1
803	331	791	1
804	332	792	1
805	335	793	1
806	336	794	1
807	339	795	1
808	340	796	1
809	343	797	1
810	344	798	1
811	347	799	1
812	348	800	1
813	351	801	1
814	352	802	1
815	355	803	1
816	356	804	1
817	359	805	1
818	360	806	1
819	363	807	1
820	364	808	1
821	368	809	1
822	368	810	1
823	369	811	1
824	369	812	1
825	370	813	1
826	370	814	1
827	371	815	1
828	374	816	1
829	375	817	1
830	378	818	1
831	379	819	1
832	382	820	1
833	383	821	1
834	386	822	1
835	387	823	1
836	387	824	1
837	390	825	1
838	391	826	1
839	391	827	1
840	392	828	1
841	392	829	1
842	393	830	1
843	393	831	1
844	394	832	1
845	396	833	1
846	397	834	1
847	397	835	1
848	398	836	1
849	398	837	1
850	399	838	1
851	399	839	1
852	400	840	1
853	400	841	1
854	401	842	1
855	401	843	1
856	402	844	1
857	402	845	1
858	403	846	1
859	404	847	1
860	404	848	1
861	404	849	1
862	405	850	1
863	405	851	1
864	405	852	1
865	406	853	1
866	407	854	1
867	407	855	1
868	407	856	1
869	408	857	1
870	408	858	1
871	408	859	1
872	409	860	1
873	409	861	1
874	410	862	1
875	410	863	1
876	412	864	1
877	412	865	1
878	412	866	1
879	413	867	1
880	413	868	1
881	414	869	1
882	414	870	1
883	415	871	1
884	415	872	1
885	416	873	1
886	416	874	1
887	417	875	1
888	417	876	1
889	418	877	1
890	418	878	1
891	421	879	1
892	421	880	1
893	422	881	1
894	422	882	1
895	423	883	1
896	424	884	1
897	425	885	1
898	425	886	1
899	425	887	1
900	426	888	1
901	426	889	1
902	426	890	1
903	427	891	1
904	427	892	1
905	428	893	1
906	428	894	1
907	430	895	1
908	430	896	1
909	430	897	1
910	431	898	1
911	431	899	1
912	433	900	1
913	434	901	1
914	435	902	1
915	436	903	1
916	437	904	1
917	438	905	1
918	438	906	1
919	439	907	1
920	439	908	1
921	441	909	1
922	441	910	1
923	441	911	1
924	442	912	1
925	442	913	1
926	443	914	1
927	443	915	1
928	444	916	1
929	444	917	1
930	445	918	1
931	445	919	1
932	446	920	1
933	446	921	1
934	447	922	1
935	447	923	1
936	449	924	1
937	450	925	1
938	452	926	1
939	453	927	1
940	454	928	1
941	455	929	1
942	455	930	1
943	456	931	1
944	457	932	1
945	457	933	1
946	457	934	1
947	458	935	1
948	458	936	1
949	458	937	1
950	459	938	1
951	459	939	1
952	462	940	1
953	462	941	1
954	463	942	1
955	463	943	1
956	464	944	1
957	464	945	1
958	465	946	1
959	465	947	1
960	466	948	1
961	466	949	1
962	467	950	1
963	467	951	1
964	468	952	1
965	468	953	1
966	468	954	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1
