@<TRIPOS>MOLECULE
118984456
544 551 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
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454	H177    34.8183     6.2280   -52.8145	H	1	noname	0.0233
455	H178    34.4322     6.4886   -55.9535	H	1	noname	0.0233
456	H179    32.7538     7.0457   -55.9567	H	1	noname	0.0233
457	H180    33.9154     7.7420   -54.8097	H	1	noname	0.0233
458	H181    29.5906     0.2205   -52.0036	H	1	noname	0.1318
459	H182    26.1478    11.6903   -49.8819	H	1	noname	0.0382
460	H183    26.6624    10.7626   -48.4788	H	1	noname	0.0382
461	H184    32.0159     6.8359   -50.4552	H	1	noname	0.1318
462	H185    28.2802     8.9875   -48.9163	H	1	noname	0.1319
463	H186    30.1849    -2.1607   -52.0955	H	1	noname	0.0566
464	H187    29.2604    16.0190   -54.2152	H	1	noname	0.0625
465	H188    30.6546    12.4845   -52.3621	H	1	noname	0.0625
466	H189    30.9643    -0.5286   -50.3040	H	1	noname	0.0292
467	H190    32.6258    -1.0236   -50.6188	H	1	noname	0.0292
468	H191    25.9048     1.7508   -53.2893	H	1	noname	0.0432
469	H192    26.3573     2.9633   -54.4802	H	1	noname	0.0432
470	H193    30.6579     8.6213   -47.7000	H	1	noname	0.0251
471	H194    31.5894     7.1288   -47.8963	H	1	noname	0.0251
472	H195    32.0681     8.5916   -48.7764	H	1	noname	0.0251
473	H196    33.0645    -2.6036   -52.3335	H	1	noname	0.1318
474	H197    29.8444    15.1048   -56.3621	H	1	noname	0.0622
475	H198    31.2015    11.5852   -54.5114	H	1	noname	0.0622
476	H199    30.3857    -2.8064   -49.5709	H	1	noname	0.0361
477	H200    32.0454    -3.3314   -49.8543	H	1	noname	0.0361
478	H201    33.4468    -5.2218   -52.6074	H	1	noname	0.0593
479	H202    30.8019    12.8805   -56.5227	H	1	noname	0.0622
480	H203    25.8736     0.6875   -55.8917	H	1	noname	0.1306
481	H204    33.6605    -3.8490   -55.3617	H	1	noname	0.0619
482	H205    32.1861    -5.9386   -55.1654	H	1	noname	0.1319
483	H206    25.6786    10.0852   -51.9606	H	1	noname	0.1271
484	H207    24.6863     8.8037   -51.5184	H	1	noname	0.1271
485	H208    34.4433    -2.2931   -53.6402	H	1	noname	0.0257
486	H209    35.4677    -3.5345   -52.8841	H	1	noname	0.0257
487	H210    35.8154    -2.9219   -54.5122	H	1	noname	0.0257
488	H211    32.7328    -8.2572   -55.7080	H	1	noname	0.0563
489	H212    35.6923    -4.8640   -55.4540	H	1	noname	0.2105
490	H213    32.2539    -0.1521   -48.5135	H	1	noname	0.1271
491	H214    32.4093    -0.6508   -46.9169	H	1	noname	0.1271
492	H215    33.4570   -10.0025   -54.5419	H	1	noname	0.1318
493	H216    30.4776    -7.1907   -55.6134	H	1	noname	0.0251
494	H217    29.9187    -8.5049   -54.5817	H	1	noname	0.0251
495	H218    30.4652    -8.8367   -56.2419	H	1	noname	0.0251
496	H219    23.9483    -0.1691   -56.4696	H	1	noname	0.1267
497	H220    22.5290     0.2591   -55.6436	H	1	noname	0.1267
498	H221    31.9105   -12.7965   -55.4336	H	1	noname	0.0575
499	H222    22.5659     2.3051   -54.6125	H	1	noname	0.1898
500	H223    30.9570   -13.0771   -52.8166	H	1	noname	0.0410
501	H224    32.5334   -13.7785   -52.6846	H	1	noname	0.0410
502	H225    34.0822   -13.1569   -53.8321	H	1	noname	0.1319
503	H226    35.9341   -13.5750   -54.7012	H	1	noname	0.0593
504	H227    37.3299   -11.1081   -55.7025	H	1	noname	0.0619
505	H228    37.1567   -13.6205   -56.9858	H	1	noname	0.1319
506	H229    36.5381   -15.1647   -58.9016	H	1	noname	0.0563
507	H230    36.1016   -10.6470   -53.5189	H	1	noname	0.0257
508	H231    36.8819   -12.0621   -52.7952	H	1	noname	0.0257
509	H232    37.8560   -10.6778   -53.3120	H	1	noname	0.0257
510	H233    32.4587   -20.2773   -53.0613	H	1	noname	0.0575
511	H234    34.8726   -19.4326   -59.8978	H	1	noname	0.0593
512	H235    30.9053   -18.9163   -53.7056	H	1	noname	0.0410
513	H236    31.8583   -18.1783   -54.8800	H	1	noname	0.0410
514	H237    35.9732   -20.1499   -55.1471	H	1	noname	0.0571
515	H238    33.7449   -16.0650   -58.7056	H	1	noname	0.1318
516	H239    32.4669   -19.8754   -59.2833	H	1	noname	0.0619
517	H240    38.1644   -13.3983   -54.2564	H	1	noname	0.2105
518	H241    33.6683   -19.5778   -57.4743	H	1	noname	0.1319
519	H242    35.6345   -13.1030   -60.0828	H	1	noname	0.0251
520	H243    34.0112   -13.8259   -60.0557	H	1	noname	0.0251
521	H244    35.3005   -14.5841   -61.0074	H	1	noname	0.0251
522	H245    36.0293   -16.7949   -52.5555	H	1	noname	0.0559
523	H246    34.0551   -20.1735   -52.1002	H	1	noname	0.1319
524	H247    33.8947   -21.7248   -56.3202	H	1	noname	0.1319
525	H248    35.8940   -18.0555   -55.2855	H	1	noname	0.0287
526	H249    36.7128   -16.6104   -54.9971	H	1	noname	0.0287
527	H250    36.1204   -22.5632   -56.9781	H	1	noname	0.0382
528	H251    36.1977   -22.6148   -55.2394	H	1	noname	0.0382
529	H252    34.0074   -16.3498   -54.0168	H	1	noname	0.0268
530	H253    34.8572   -15.3401   -55.1226	H	1	noname	0.0268
531	H254    31.5047   -17.8700   -58.4055	H	1	noname	0.0257
532	H255    30.7698   -18.2687   -59.9278	H	1	noname	0.0257
533	H256    31.9379   -16.9613   -59.8764	H	1	noname	0.0257
534	H257    33.6686   -17.9404   -55.9912	H	1	noname	0.0279
535	H258    34.5474   -16.8949   -56.8797	H	1	noname	0.0279
536	H259    37.6108   -18.8688   -53.7959	H	1	noname	0.1191
537	H260    37.7628   -18.3989   -52.2323	H	1	noname	0.1191
538	H261    33.2356   -20.0880   -61.2370	H	1	noname	0.2105
539	H262    31.5926   -16.5910   -56.0757	H	1	noname	0.0425
540	H263    32.3447   -16.9391   -57.5873	H	1	noname	0.0425
541	H264    38.1545   -19.9020   -55.7275	H	1	noname	0.1271
542	H265    39.5798   -20.7591   -55.9341	H	1	noname	0.1271
543	H266    31.1124   -15.0301   -57.4415	H	1	noname	0.1184
544	H267    32.2260   -14.3461   -56.4036	H	1	noname	0.1184
@<TRIPOS>BOND
1	1	2	1
2	1	253	1
3	2	262	1
4	3	112	2
5	4	116	2
6	5	118	2
7	6	123	2
8	127	7	1
9	7	325	1
10	8	129	2
11	9	132	2
12	10	139	2
13	11	142	2
14	12	143	2
15	13	146	2
16	14	147	2
17	15	154	2
18	16	158	2
19	17	164	2
20	18	165	2
21	19	167	1
22	19	374	1
23	20	168	2
24	21	171	2
25	22	172	2
26	23	175	2
27	24	176	1
28	24	387	1
29	25	177	2
30	26	179	2
31	180	27	1
32	27	397	1
33	28	182	2
34	29	184	1
35	29	402	1
36	30	186	2
37	31	189	2
38	32	193	2
39	33	202	2
40	34	207	1
41	34	438	1
42	35	211	2
43	36	220	2
44	37	222	2
45	38	223	2
46	39	230	2
47	40	231	2
48	41	241	2
49	42	242	2
50	244	43	1
51	43	489	1
52	44	245	2
53	45	247	2
54	46	252	2
55	256	47	1
56	47	517	1
57	48	255	2
58	49	258	2
59	264	50	1
60	50	538	1
61	51	265	2
62	52	266	2
63	53	269	2
64	54	272	2
65	55	276	2
66	56	109	1
67	56	112	1
68	56	114	1
69	57	107	1
70	57	111	1
71	57	116	1
72	117	58	1
73	58	123	1
74	58	296	1
75	59	118	1
76	121	59	1
77	59	297	1
78	122	60	1
79	60	132	1
80	60	309	1
81	61	128	1
82	61	135	1
83	61	139	1
84	62	129	1
85	138	62	1
86	62	324	1
87	63	142	1
88	144	63	1
89	63	334	1
90	64	141	1
91	64	146	1
92	64	335	1
93	65	143	1
94	65	339	1
95	65	340	1
96	66	147	1
97	66	153	1
98	66	349	1
99	148	67	1
100	67	154	1
101	67	350	1
102	155	68	1
103	68	164	1
104	68	358	1
105	69	158	1
106	163	69	1
107	69	361	1
108	70	165	1
109	70	369	1
110	70	370	1
111	166	71	1
112	71	171	1
113	71	371	1
114	72	168	1
115	170	72	1
116	72	372	1
117	73	172	1
118	73	378	1
119	73	379	1
120	173	74	1
121	74	179	1
122	74	382	1
123	75	175	1
124	178	75	1
125	75	383	1
126	76	177	1
127	76	388	1
128	76	389	1
129	181	77	1
130	77	186	1
131	77	395	1
132	78	182	1
133	185	78	1
134	78	396	1
135	187	79	1
136	79	193	1
137	79	405	1
138	80	189	1
139	80	408	1
140	80	409	1
141	192	81	1
142	81	202	1
143	81	412	1
144	82	194	1
145	82	208	2
146	83	199	1
147	83	208	1
148	83	426	1
149	198	84	1
150	84	211	1
151	84	427	1
152	212	85	1
153	85	220	1
154	85	440	1
155	214	86	1
156	86	223	1
157	86	446	1
158	217	87	1
159	87	231	1
160	87	458	1
161	88	222	1
162	224	88	1
163	88	461	1
164	218	89	1
165	89	230	1
166	89	462	1
167	229	90	1
168	90	242	1
169	90	473	1
170	91	235	1
171	91	248	1
172	91	480	1
173	240	92	1
174	92	247	1
175	92	482	1
176	93	241	1
177	93	483	1
178	93	484	1
179	94	245	1
180	94	490	1
181	94	491	1
182	249	95	1
183	95	252	1
184	95	492	1
185	96	248	1
186	96	496	1
187	96	497	1
188	97	248	2
189	97	499	1
190	98	251	1
191	98	255	1
192	98	502	1
193	99	254	1
194	99	258	1
195	99	505	1
196	100	257	1
197	100	265	1
198	100	515	1
199	101	261	1
200	101	269	1
201	101	518	1
202	260	102	1
203	102	272	1
204	102	523	1
205	103	263	1
206	103	266	1
207	103	524	1
208	268	104	1
209	104	536	1
210	104	537	1
211	105	276	1
212	105	541	1
213	105	542	1
214	106	277	1
215	106	543	1
216	106	544	1
217	107	108	1
218	107	112	1
219	107	278	1
220	108	110	1
221	108	279	1
222	108	280	1
223	109	113	1
224	109	118	1
225	109	281	1
226	110	111	1
227	110	282	1
228	110	283	1
229	111	284	1
230	111	285	1
231	113	115	1
232	113	286	1
233	113	287	1
234	114	115	1
235	114	288	1
236	114	289	1
237	115	290	1
238	115	291	1
239	116	117	1
240	117	119	1
241	117	292	1
242	119	120	1
243	119	293	1
244	119	294	1
245	120	124	1
246	120	125	1
247	120	295	1
248	121	127	1
249	121	129	1
250	121	298	1
251	122	123	1
252	122	126	1
253	122	299	1
254	124	300	1
255	124	301	1
256	124	302	1
257	125	303	1
258	125	304	1
259	125	305	1
260	126	130	1
261	126	133	1
262	126	306	1
263	127	136	1
264	127	307	1
265	128	131	1
266	128	132	1
267	128	308	1
268	130	137	1
269	130	310	1
270	130	311	1
271	131	134	1
272	131	312	1
273	131	313	1
274	133	314	1
275	133	315	1
276	133	316	1
277	134	135	1
278	134	317	1
279	134	318	1
280	135	319	1
281	135	320	1
282	136	321	1
283	136	322	1
284	136	323	1
285	137	326	1
286	137	327	1
287	137	328	1
288	138	140	1
289	138	142	1
290	138	329	1
291	139	141	1
292	140	143	1
293	140	330	1
294	140	331	1
295	141	332	1
296	141	333	1
297	144	145	1
298	144	147	1
299	144	336	1
300	145	149	1
301	145	150	1
302	145	337	1
303	146	148	1
304	148	151	1
305	148	338	1
306	149	341	1
307	149	343	1
308	149	344	1
309	150	342	1
310	150	345	1
311	150	346	1
312	151	152	1
313	151	347	1
314	151	348	1
315	152	156	2
316	152	157	1
317	153	158	1
318	153	351	1
319	153	352	1
320	154	155	1
321	155	159	1
322	155	353	1
323	156	160	1
324	156	354	1
325	157	161	2
326	157	355	1
327	159	165	1
328	159	356	1
329	159	357	1
330	160	162	2
331	160	359	1
332	161	162	1
333	161	360	1
334	162	362	1
335	163	167	1
336	163	168	1
337	163	363	1
338	164	166	1
339	166	169	1
340	166	364	1
341	167	365	1
342	167	366	1
343	169	172	1
344	169	367	1
345	169	368	1
346	170	174	1
347	170	175	1
348	170	373	1
349	171	173	1
350	173	176	1
351	173	375	1
352	174	177	1
353	174	376	1
354	174	377	1
355	176	380	1
356	176	381	1
357	178	180	1
358	178	182	1
359	178	384	1
360	179	181	1
361	180	183	1
362	180	385	1
363	181	184	1
364	181	386	1
365	183	390	1
366	183	391	1
367	183	392	1
368	184	393	1
369	184	394	1
370	185	188	1
371	185	189	1
372	185	398	1
373	186	187	1
374	187	190	1
375	187	399	1
376	188	191	1
377	188	400	1
378	188	401	1
379	190	194	1
380	190	403	1
381	190	404	1
382	191	196	2
383	191	197	1
384	192	193	1
385	192	195	1
386	192	406	1
387	194	199	2
388	195	200	1
389	195	201	1
390	195	407	1
391	196	204	1
392	196	410	1
393	197	205	2
394	197	411	1
395	198	202	1
396	198	203	1
397	198	413	1
398	199	414	1
399	200	417	1
400	200	418	1
401	200	419	1
402	201	415	1
403	201	416	1
404	201	420	1
405	203	206	1
406	203	421	1
407	203	422	1
408	204	207	2
409	204	423	1
410	205	207	1
411	205	424	1
412	206	209	1
413	206	210	1
414	206	425	1
415	208	428	1
416	209	429	1
417	209	430	1
418	209	431	1
419	210	432	1
420	210	433	1
421	210	434	1
422	211	212	1
423	212	213	1
424	212	435	1
425	213	219	1
426	213	436	1
427	213	437	1
428	214	215	1
429	214	222	1
430	214	439	1
431	215	216	1
432	215	441	1
433	215	442	1
434	216	226	1
435	216	227	1
436	216	443	1
437	217	221	1
438	217	223	1
439	217	444	1
440	218	220	1
441	218	228	1
442	218	445	1
443	219	232	2
444	219	233	1
445	221	225	1
446	221	447	1
447	221	448	1
448	224	230	1
449	224	236	1
450	224	449	1
451	225	235	1
452	225	450	1
453	225	451	1
454	226	455	1
455	226	456	1
456	226	457	1
457	227	452	1
458	227	453	1
459	227	454	1
460	228	241	1
461	228	459	1
462	228	460	1
463	229	231	1
464	229	234	1
465	229	463	1
466	232	237	1
467	232	464	1
468	233	238	2
469	233	465	1
470	234	239	1
471	234	466	1
472	234	467	1
473	235	468	1
474	235	469	1
475	236	470	1
476	236	471	1
477	236	472	1
478	237	243	2
479	237	474	1
480	238	243	1
481	238	475	1
482	239	245	1
483	239	476	1
484	239	477	1
485	240	242	1
486	240	244	1
487	240	478	1
488	243	479	1
489	244	246	1
490	244	481	1
491	246	485	1
492	246	486	1
493	246	487	1
494	247	249	1
495	249	250	1
496	249	488	1
497	250	493	1
498	250	494	1
499	250	495	1
500	251	252	1
501	251	253	1
502	251	498	1
503	253	500	1
504	253	501	1
505	254	255	1
506	254	256	1
507	254	503	1
508	256	259	1
509	256	504	1
510	257	258	1
511	257	267	1
512	257	506	1
513	259	507	1
514	259	508	1
515	259	509	1
516	260	262	1
517	260	266	1
518	260	510	1
519	261	264	1
520	261	265	1
521	261	511	1
522	262	512	1
523	262	513	1
524	263	269	1
525	263	271	1
526	263	514	1
527	264	274	1
528	264	516	1
529	267	519	1
530	267	520	1
531	267	521	1
532	268	270	1
533	268	272	1
534	268	522	1
535	270	273	1
536	270	525	1
537	270	526	1
538	271	276	1
539	271	527	1
540	271	528	1
541	273	275	1
542	273	529	1
543	273	530	1
544	274	531	1
545	274	532	1
546	274	533	1
547	275	277	1
548	275	534	1
549	275	535	1
550	277	539	1
551	277	540	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1
