@<TRIPOS>MOLECULE
118984450
788 799 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
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219	C71    25.6463   -35.4466   -18.8652	C.2	1	noname	0.0494
220	C72    34.8454   -38.2534     5.4351	C.3	1	noname	-0.0201
221	C73    34.8428   -37.5948     4.0078	C.3	1	noname	0.0903
222	C74    28.0659   -31.7995   -21.2567	C.3	1	noname	0.0918
223	C75    32.0672   -36.5700     3.0537	C.3	1	noname	0.0901
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226	C78    30.0586   -33.3209   -17.0863	C.3	1	noname	0.0901
227	C79    32.2985   -37.1908     1.6028	C.3	1	noname	-0.0227
228	C80    27.9250   -35.7773   -15.2166	C.3	1	noname	0.0880
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230	C82    22.3487   -36.0901   -15.6898	C.3	1	noname	-0.0608
231	C83    27.4863   -33.1759   -21.3053	C.2	1	noname	0.0495
232	C84    27.9179   -37.3403   -15.1550	C.3	1	noname	-0.0265
233	C85    34.1751   -29.8435   -21.9149	C.3	1	noname	-0.0451
234	C86    29.6167   -31.8376   -17.2786	C.3	1	noname	-0.0227
235	C87    34.2729   -39.7168     5.4478	C.3	1	noname	-0.0516
236	C88    26.6838   -38.0160   -14.4723	C.3	1	noname	-0.0451
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238	C90    26.4854   -37.6425   -22.1177	C.3	1	noname	-0.0627
239	C91    34.3949   -36.1749     3.9599	C.2	1	noname	0.0495
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241	C93    30.4390   -31.0408   -21.3195	C.2	1	noname	0.0494
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243	C95    29.1035   -35.2661   -15.9333	C.2	1	noname	0.0494
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245	C97    32.1778   -35.7448   -19.0328	C.3	1	noname	0.0883
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250	C102    33.1982   -34.6204   -22.5134	C.3	1	noname	0.0850
251	C103    35.0218   -28.8024   -21.1206	C.3	1	noname	-0.0627
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262	C114    32.9951   -35.0875   -20.0766	C.2	1	noname	0.0492
263	C115    27.4937   -33.4751   -12.1873	C.3	1	noname	0.0933
264	C116    21.5531   -28.8993    -1.6703	C.3	1	noname	-0.0201
265	C117    27.4638   -33.9308   -13.5934	C.2	1	noname	0.0495
266	C118    20.9079   -30.3302    -1.4753	C.3	1	noname	0.0903
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269	C121    20.2730   -37.8173   -12.2048	C.3	1	noname	-0.0265
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282	C134    27.9858   -28.7013   -23.1715	C.2	1	noname	-0.0475
283	C135    27.6643   -28.6011   -20.7657	C.2	1	noname	-0.0475
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287	C139    20.5697   -27.7228    -1.3474	C.3	1	noname	-0.0605
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297	C149    20.3285   -39.9808    -7.6930	C.2	1	noname	0.0495
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490	H85    23.5614   -41.1516   -15.7372	H	1	noname	0.1316
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493	H88    24.7945   -37.1244   -16.8372	H	1	noname	0.0569
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495	H90    23.7268   -34.9080   -16.7583	H	1	noname	0.0318
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504	H99    34.0853   -38.1175     3.4802	H	1	noname	0.0569
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668	H263    18.1054   -35.7290    -5.3130	H	1	noname	0.0585
669	H264    19.4433   -34.6802    -5.6210	H	1	noname	0.0585
670	H265    12.5725   -38.1730   -11.5784	H	1	noname	0.0571
671	H266    19.6729   -32.6033     2.4298	H	1	noname	0.1319
672	H267    14.5788   -40.7587    -8.4403	H	1	noname	0.0569
673	H268    17.0898   -31.7641     2.8807	H	1	noname	0.0585
674	H269    17.4689   -32.8813     1.5576	H	1	noname	0.0585
675	H270    25.4464   -30.7525     2.4466	H	1	noname	0.0575
676	H271    16.4605   -38.7456   -16.9422	H	1	noname	0.0373
677	H272    17.6990   -39.5602   -16.0495	H	1	noname	0.0373
678	H273    28.0130   -33.4480    -9.3399	H	1	noname	0.0808
679	H274    34.0179   -41.0206     1.8988	H	1	noname	0.1188
680	H275    33.8199   -39.4132     1.8180	H	1	noname	0.1188
681	H276    15.1186   -37.0588   -12.1622	H	1	noname	0.1319
682	H277    20.5508   -32.0275     5.6387	H	1	noname	0.0619
683	H278    21.9718   -35.0175   -11.5173	H	1	noname	0.0585
684	H279    23.2933   -36.2263   -11.3622	H	1	noname	0.0585
685	H280    25.1646   -33.4254     1.2869	H	1	noname	0.1319
686	H281    23.6745   -31.2737     4.0577	H	1	noname	0.1319
687	H282    23.6864   -35.5495    -9.4140	H	1	noname	0.1319
688	H283    12.0433   -42.2647    -9.1925	H	1	noname	0.0337
689	H284    13.1428   -42.4956    -7.8347	H	1	noname	0.0337
690	H285    29.8440   -31.5887    -6.0392	H	1	noname	0.0566
691	H286    12.8221   -40.2880   -10.7571	H	1	noname	0.1319
692	H287    29.5548   -32.3271    -3.6371	H	1	noname	0.0290
693	H288    29.7629   -30.6651    -3.1394	H	1	noname	0.0290
694	H289    12.4592   -36.3457    -9.9306	H	1	noname	0.0382
695	H290    14.2034   -36.0481   -10.1974	H	1	noname	0.0382
696	H291    24.7794   -41.6710    -7.1983	H	1	noname	0.0626
697	H292    21.3972   -44.1310    -6.6042	H	1	noname	0.0626
698	H293    32.0796   -30.6953    -4.1790	H	1	noname	0.0298
699	H294    28.3425   -31.9265    -7.4128	H	1	noname	0.1531
700	H295    24.4852   -31.4383    -0.3333	H	1	noname	0.0410
701	H296    25.0418   -29.9375     0.2557	H	1	noname	0.0410
702	H297    28.5610   -29.5591    -8.1867	H	1	noname	0.1013
703	H298    17.4608   -44.8164   -10.3493	H	1	noname	0.1319
704	H299    28.7600   -24.9637   -21.0737	H	1	noname	0.2181
705	H300    31.2031   -39.1154   -18.2386	H	1	noname	0.2213
706	H301    25.4193   -31.2349    -4.9615	H	1	noname	0.0575
707	H302    21.0910   -29.5862     5.6085	H	1	noname	0.0257
708	H303    21.6298   -30.4046     7.0945	H	1	noname	0.0257
709	H304    22.8099   -29.9936     5.8269	H	1	noname	0.0257
710	H305    18.7950   -43.6511    -7.9825	H	1	noname	0.0583
711	H306    35.3171   -37.9890     9.1035	H	1	noname	0.2213
712	H307    29.6611   -28.8376    -5.0336	H	1	noname	0.1318
713	H308    31.5197   -27.4539    -5.2989	H	1	noname	0.0570
714	H309    26.1291   -43.2360    -5.9772	H	1	noname	0.0650
715	H310    22.7694   -45.6983    -5.3845	H	1	noname	0.0650
716	H311    27.8597   -32.8577    -5.1701	H	1	noname	0.1319
717	H312    17.5268   -33.5840    -4.9400	H	1	noname	0.2101
718	H313    23.4498   -34.3808    -6.9940	H	1	noname	0.0529
719	H314    24.9118   -35.1509    -7.3493	H	1	noname	0.0529
720	H315    33.1496   -32.9176    -4.4780	H	1	noname	0.0233
721	H316    33.0998   -31.9069    -2.3154	H	1	noname	0.0233
722	H317    31.5913   -33.7191    -4.1656	H	1	noname	0.0233
723	H318    31.5244   -32.6419    -1.9334	H	1	noname	0.0233
724	H319    31.7443   -30.8818    -1.7862	H	1	noname	0.0233
725	H320    31.8042   -32.7262    -5.6275	H	1	noname	0.0233
726	H321    24.9697   -32.3542    -2.7767	H	1	noname	0.0410
727	H322    26.5452   -33.1048    -2.8234	H	1	noname	0.0410
728	H323    15.4340   -31.8227     1.2723	H	1	noname	0.2101
729	H324    31.2056   -32.6957    -0.2988	H	1	noname	0.1271
730	H325    29.9519   -33.6509    -0.8880	H	1	noname	0.1271
731	H326    29.6724   -27.3936    -7.1383	H	1	noname	0.0354
732	H327    30.8922   -27.3756    -8.2937	H	1	noname	0.0354
733	H328    13.7633   -38.1113    -4.9500	H	1	noname	0.1271
734	H329    14.5023   -38.1939    -6.4520	H	1	noname	0.1271
735	H330    23.3911   -32.3345     5.6684	H	1	noname	0.2105
736	H331    17.0296   -46.1215    -8.3453	H	1	noname	0.0383
737	H332    17.7797   -45.6515    -6.8640	H	1	noname	0.0383
738	H333    23.0835   -34.1233   -13.3870	H	1	noname	0.2101
739	H334    25.3470   -32.3635    -7.1169	H	1	noname	0.1316
740	H335    35.4545   -27.0155    -7.2257	H	1	noname	0.0566
741	H336    33.1353   -27.4758    -7.6633	H	1	noname	0.1319
742	H337    10.0847   -41.0577    -8.8010	H	1	noname	0.0626
743	H338    13.2783   -40.5337    -6.0703	H	1	noname	0.0626
744	H339    34.8089   -29.3194    -8.0911	H	1	noname	0.0292
745	H340    35.6732   -30.0356    -6.7864	H	1	noname	0.0292
746	H341    36.9873   -28.5617    -5.3827	H	1	noname	0.1318
747	H342    38.4429   -22.7179    -3.6384	H	1	noname	0.0569
748	H343    38.5864   -27.2501    -4.1587	H	1	noname	0.0571
749	H344    39.1311   -23.6692    -1.4676	H	1	noname	0.0318
750	H345    17.4225   -41.7054   -18.8902	H	1	noname	0.2213
751	H346    11.6819   -34.9436   -13.2142	H	1	noname	0.1271
752	H347    11.2355   -36.2768   -12.2961	H	1	noname	0.1271
753	H348     8.6775   -39.7112    -7.3942	H	1	noname	0.0650
754	H349    11.8468   -39.1623    -4.6911	H	1	noname	0.0650
755	H350    36.9967   -28.2527    -8.8843	H	1	noname	0.0361
756	H351    37.8268   -29.0239    -7.6227	H	1	noname	0.0361
757	H352    24.7777   -46.2225    -4.5881	H	1	noname	0.2181
758	H353    37.6018   -24.9160    -2.7149	H	1	noname	0.1319
759	H354    36.8581   -28.4428    -2.8386	H	1	noname	0.0382
760	H355    36.3272   -26.8881    -2.1753	H	1	noname	0.0382
761	H356    41.2503   -22.5348    -4.1195	H	1	noname	0.1319
762	H357    31.9831   -25.0562    -5.4843	H	1	noname	0.0808
763	H358    41.4682   -23.7395    -0.6987	H	1	noname	0.0234
764	H359    40.3591   -21.7722    -0.4824	H	1	noname	0.0234
765	H360    40.7333   -21.1755    -2.1171	H	1	noname	0.0234
766	H361    39.0444   -21.2421    -1.5590	H	1	noname	0.0234
767	H362    41.1594   -24.9221    -1.9927	H	1	noname	0.0234
768	H363    42.0235   -23.4093    -2.3573	H	1	noname	0.0234
769	H364    21.3892   -45.5148    -9.8806	H	1	noname	0.2213
770	H365    41.8980   -21.0646    -5.8398	H	1	noname	0.0563
771	H366    31.4979   -22.7115    -6.1938	H	1	noname	0.1531
772	H367    30.0621   -22.7053    -8.2362	H	1	noname	0.1013
773	H368    15.3074   -42.6829    -7.0665	H	1	noname	0.1271
774	H369    16.8682   -42.5989    -7.6733	H	1	noname	0.1271
775	H370    40.2881   -20.2893    -7.6725	H	1	noname	0.0337
776	H371    40.4806   -21.7727    -8.4415	H	1	noname	0.0337
777	H372     9.8632   -38.2284    -4.3827	H	1	noname	0.2181
778	H373    36.5868   -32.1125    -9.8485	H	1	noname	0.1271
779	H374    35.5042   -31.3744    -8.8011	H	1	noname	0.1271
780	H375    41.5737   -23.6428    -7.2272	H	1	noname	0.1191
781	H376    42.3810   -23.3820    -5.7901	H	1	noname	0.1191
782	H377    39.9099   -28.2755    -0.7926	H	1	noname	0.1271
783	H378    39.5440   -28.6286    -2.3921	H	1	noname	0.1271
784	H379    40.8219   -19.8962   -10.1938	H	1	noname	0.0625
785	H380    43.8186   -21.0188    -7.3983	H	1	noname	0.0625
786	H381    42.5320   -19.0317   -11.6363	H	1	noname	0.0622
787	H382    45.4928   -20.1606    -8.8738	H	1	noname	0.0622
788	H383    44.8700   -19.1596   -10.9954	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	1	218	1
3	2	288	1
4	3	4	1
5	3	320	1
6	4	326	1
7	5	6	1
8	5	351	1
9	6	368	1
10	7	153	2
11	8	155	2
12	161	9	1
13	9	432	1
14	10	160	2
15	11	164	1
16	11	439	1
17	165	12	1
18	12	440	1
19	13	164	2
20	14	168	2
21	15	172	2
22	16	180	1
23	16	458	1
24	17	181	2
25	18	190	2
26	19	197	2
27	20	201	2
28	21	206	2
29	22	208	1
30	22	491	1
31	23	208	2
32	24	210	2
33	25	216	2
34	26	219	2
35	27	231	2
36	28	239	2
37	29	241	2
38	30	243	2
39	31	244	2
40	32	246	2
41	33	257	2
42	34	262	2
43	35	265	2
44	36	268	2
45	37	270	2
46	38	285	2
47	39	289	2
48	40	290	2
49	41	291	2
50	42	297	2
51	43	298	2
52	44	316	1
53	44	704	1
54	45	318	1
55	45	705	1
56	46	310	2
57	47	311	2
58	48	322	1
59	48	711	1
60	49	314	2
61	50	317	2
62	51	318	2
63	52	322	2
64	53	327	1
65	53	717	1
66	54	324	2
67	55	332	1
68	55	728	1
69	338	56	1
70	56	735	1
71	57	330	2
72	58	339	1
73	58	738	1
74	59	331	2
75	60	336	2
76	61	337	2
77	62	340	2
78	63	341	2
79	64	344	2
80	65	347	2
81	66	358	1
82	66	750	1
83	67	357	2
84	68	356	2
85	69	358	2
86	70	367	1
87	70	757	1
88	71	366	2
89	72	369	2
90	73	370	2
91	74	378	1
92	74	769	1
93	75	376	2
94	76	378	2
95	77	389	1
96	77	777	1
97	78	385	2
98	79	387	2
99	80	388	2
100	81	394	2
101	82	395	2
102	83	398	2
103	84	149	1
104	84	152	1
105	84	153	1
106	85	155	1
107	158	85	1
108	85	416	1
109	154	86	1
110	86	160	1
111	86	419	1
112	162	87	1
113	87	168	1
114	87	431	1
115	88	163	1
116	88	436	1
117	88	437	1
118	169	89	1
119	89	172	1
120	89	443	1
121	173	90	1
122	90	181	1
123	90	449	1
124	182	91	1
125	91	190	1
126	91	457	1
127	92	193	1
128	92	197	1
129	92	469	1
130	198	93	1
131	93	201	1
132	93	473	1
133	94	202	1
134	94	207	1
135	94	481	1
136	203	95	1
137	95	206	1
138	95	482	1
139	96	207	1
140	96	487	1
141	96	488	1
142	97	207	2
143	97	489	1
144	98	209	1
145	98	210	1
146	98	490	1
147	211	99	1
148	99	216	1
149	99	498	1
150	212	100	1
151	100	219	1
152	100	502	1
153	213	101	1
154	101	231	1
155	101	506	1
156	223	102	1
157	102	239	1
158	102	535	1
159	222	103	1
160	103	241	1
161	103	536	1
162	226	104	1
163	104	243	1
164	104	540	1
165	224	105	1
166	105	257	1
167	105	542	1
168	221	106	1
169	106	270	1
170	106	543	1
171	228	107	1
172	107	265	1
173	107	551	1
174	245	108	1
175	108	246	1
176	108	553	1
177	109	244	1
178	247	109	1
179	109	560	1
180	250	110	1
181	110	262	1
182	110	582	1
183	111	268	1
184	273	111	1
185	111	605	1
186	267	112	1
187	112	291	1
188	112	609	1
189	263	113	1
190	113	314	1
191	113	615	1
192	114	266	1
193	114	310	1
194	114	616	1
195	271	115	1
196	115	311	1
197	115	624	1
198	284	116	1
199	116	289	1
200	116	625	1
201	280	117	1
202	117	297	1
203	117	627	1
204	118	285	1
205	118	294	1
206	118	630	1
207	119	290	1
208	295	119	1
209	119	639	1
210	120	298	1
211	312	120	1
212	120	657	1
213	300	121	1
214	121	317	1
215	121	663	1
216	299	122	1
217	122	337	1
218	122	667	1
219	123	309	1
220	123	336	1
221	123	671	1
222	124	293	1
223	124	679	1
224	124	680	1
225	125	324	1
226	328	125	1
227	125	681	1
228	126	330	1
229	126	333	1
230	126	685	1
231	127	303	1
232	127	352	2
233	128	325	1
234	128	344	1
235	128	686	1
236	321	129	1
237	129	356	1
238	129	687	1
239	329	130	1
240	130	341	1
241	130	691	1
242	131	335	1
243	131	352	1
244	131	699	1
245	132	331	1
246	354	132	1
247	132	703	1
248	343	133	1
249	133	366	1
250	133	712	1
251	353	134	1
252	134	357	1
253	134	716	1
254	135	340	1
255	135	729	1
256	135	730	1
257	136	347	1
258	136	733	1
259	136	734	1
260	137	363	1
261	137	370	1
262	137	739	1
263	360	138	1
264	138	376	1
265	138	741	1
266	373	139	1
267	139	385	1
268	139	746	1
269	140	369	1
270	140	751	1
271	140	752	1
272	381	141	1
273	141	388	1
274	141	758	1
275	380	142	1
276	142	394	1
277	142	761	1
278	143	379	1
279	143	397	2
280	144	391	1
281	144	397	1
282	144	771	1
283	145	387	1
284	145	773	1
285	145	774	1
286	146	395	1
287	146	778	1
288	146	779	1
289	396	147	1
290	147	780	1
291	147	781	1
292	148	398	1
293	148	782	1
294	148	783	1
295	149	150	1
296	149	155	1
297	149	406	1
298	150	151	1
299	150	407	1
300	150	408	1
301	151	152	1
302	151	409	1
303	151	410	1
304	152	411	1
305	152	412	1
306	153	154	1
307	154	156	1
308	154	413	1
309	156	157	1
310	156	414	1
311	156	415	1
312	157	159	1
313	157	417	1
314	157	418	1
315	158	161	1
316	158	164	1
317	158	420	1
318	159	163	1
319	159	421	1
320	159	422	1
321	160	162	1
322	161	166	1
323	161	423	1
324	162	165	1
325	162	424	1
326	163	425	1
327	163	426	1
328	165	167	1
329	165	427	1
330	166	428	1
331	166	429	1
332	166	430	1
333	167	433	1
334	167	434	1
335	167	435	1
336	168	169	1
337	169	170	1
338	169	438	1
339	170	171	1
340	170	441	1
341	170	442	1
342	171	174	2
343	171	175	1
344	172	173	1
345	173	176	1
346	173	444	1
347	174	177	1
348	174	445	1
349	175	178	2
350	175	446	1
351	176	179	1
352	176	447	1
353	176	448	1
354	177	180	2
355	177	450	1
356	178	180	1
357	178	451	1
358	179	183	2
359	179	184	1
360	181	182	1
361	182	185	1
362	182	452	1
363	183	186	1
364	183	453	1
365	184	187	2
366	184	454	1
367	185	188	1
368	185	455	1
369	185	456	1
370	186	189	2
371	186	459	1
372	187	189	1
373	187	460	1
374	188	191	2
375	188	192	1
376	189	461	1
377	190	193	1
378	191	194	1
379	191	462	1
380	192	195	2
381	192	463	1
382	193	464	1
383	193	465	1
384	194	196	2
385	194	466	1
386	195	196	1
387	195	467	1
388	196	468	1
389	197	198	1
390	198	199	1
391	198	470	1
392	199	200	1
393	199	471	1
394	199	472	1
395	200	202	1
396	200	474	1
397	200	475	1
398	201	203	1
399	202	476	1
400	202	477	1
401	203	204	1
402	203	478	1
403	204	205	1
404	204	479	1
405	204	480	1
406	205	208	1
407	205	483	1
408	205	484	1
409	206	209	1
410	209	485	1
411	209	486	1
412	210	211	1
413	211	218	1
414	211	492	1
415	212	214	1
416	212	216	1
417	212	493	1
418	213	215	1
419	213	219	1
420	213	494	1
421	214	229	1
422	214	230	1
423	214	495	1
424	215	217	1
425	215	496	1
426	215	497	1
427	217	237	1
428	217	238	1
429	217	499	1
430	218	500	1
431	218	501	1
432	220	221	1
433	220	235	1
434	220	242	1
435	220	503	1
436	221	239	1
437	221	504	1
438	222	231	1
439	222	240	1
440	222	505	1
441	223	227	1
442	223	244	1
443	223	507	1
444	224	225	1
445	224	241	1
446	224	508	1
447	225	233	1
448	225	509	1
449	225	510	1
450	226	234	1
451	226	246	1
452	226	511	1
453	227	248	1
454	227	249	1
455	227	512	1
456	228	232	1
457	228	243	1
458	228	513	1
459	229	517	1
460	229	518	1
461	229	519	1
462	230	514	1
463	230	515	1
464	230	516	1
465	232	236	1
466	232	520	1
467	232	521	1
468	233	251	1
469	233	252	1
470	233	522	1
471	234	253	1
472	234	254	1
473	234	523	1
474	235	256	1
475	235	524	1
476	235	525	1
477	236	259	1
478	236	260	1
479	236	526	1
480	237	530	1
481	237	531	1
482	237	532	1
483	238	527	1
484	238	528	1
485	238	529	1
486	240	255	1
487	240	533	1
488	240	534	1
489	242	537	1
490	242	538	1
491	242	539	1
492	245	258	1
493	245	262	1
494	245	541	1
495	247	261	1
496	247	268	1
497	247	544	1
498	248	545	1
499	248	546	1
500	248	547	1
501	249	548	1
502	249	549	1
503	249	550	1
504	250	257	1
505	250	276	1
506	250	552	1
507	251	554	1
508	251	558	1
509	251	559	1
510	252	555	1
511	252	556	1
512	252	557	1
513	253	561	1
514	253	565	1
515	253	566	1
516	254	562	1
517	254	563	1
518	254	564	1
519	255	282	2
520	255	283	1
521	256	567	1
522	256	568	1
523	256	569	1
524	258	275	1
525	258	570	1
526	258	571	1
527	259	572	1
528	259	573	1
529	259	577	1
530	260	574	1
531	260	575	1
532	260	576	1
533	261	281	1
534	261	578	1
535	261	579	1
536	263	265	1
537	263	277	1
538	263	580	1
539	264	266	1
540	264	278	1
541	264	287	1
542	264	581	1
543	266	285	1
544	266	583	1
545	267	269	1
546	267	290	1
547	267	584	1
548	269	274	1
549	269	585	1
550	269	586	1
551	270	293	1
552	271	272	1
553	271	289	1
554	271	587	1
555	272	279	1
556	272	588	1
557	272	589	1
558	273	286	1
559	273	298	1
560	273	590	1
561	274	301	1
562	274	302	1
563	274	591	1
564	275	318	1
565	275	592	1
566	275	593	1
567	276	594	1
568	276	595	1
569	276	596	1
570	277	303	1
571	277	597	1
572	277	598	1
573	278	306	1
574	278	599	1
575	278	600	1
576	279	307	1
577	279	308	1
578	279	601	1
579	280	291	1
580	280	292	1
581	280	602	1
582	281	322	1
583	281	603	1
584	281	604	1
585	282	304	1
586	282	606	1
587	283	305	2
588	283	607	1
589	284	296	1
590	284	297	1
591	284	608	1
592	286	313	1
593	286	610	1
594	286	611	1
595	287	612	1
596	287	613	1
597	287	614	1
598	288	299	1
599	288	617	1
600	288	618	1
601	292	319	1
602	292	619	1
603	292	620	1
604	293	621	1
605	293	622	1
606	294	317	1
607	294	320	1
608	294	623	1
609	295	315	1
610	295	324	1
611	295	626	1
612	296	323	1
613	296	628	1
614	296	629	1
615	299	331	1
616	299	631	1
617	300	311	1
618	300	327	1
619	300	632	1
620	301	634	1
621	301	635	1
622	301	636	1
623	302	633	1
624	302	637	1
625	302	638	1
626	303	335	2
627	304	316	2
628	304	640	1
629	305	316	1
630	305	641	1
631	306	642	1
632	306	643	1
633	306	644	1
634	307	645	1
635	307	646	1
636	307	648	1
637	308	647	1
638	308	649	1
639	308	650	1
640	309	310	1
641	309	332	1
642	309	651	1
643	312	326	1
644	312	330	1
645	312	652	1
646	313	340	1
647	313	653	1
648	313	654	1
649	314	321	1
650	315	334	1
651	315	655	1
652	315	656	1
653	319	347	1
654	319	658	1
655	319	659	1
656	320	660	1
657	320	661	1
658	321	339	1
659	321	662	1
660	323	348	2
661	323	349	1
662	325	336	1
663	325	338	1
664	325	664	1
665	326	665	1
666	326	666	1
667	327	668	1
668	327	669	1
669	328	341	1
670	328	346	1
671	328	670	1
672	329	337	1
673	329	342	1
674	329	672	1
675	332	673	1
676	332	674	1
677	333	344	1
678	333	351	1
679	333	675	1
680	334	358	1
681	334	676	1
682	334	677	1
683	335	678	1
684	338	355	1
685	338	682	1
686	339	683	1
687	339	684	1
688	342	359	1
689	342	688	1
690	342	689	1
691	343	345	1
692	343	357	1
693	343	690	1
694	345	350	1
695	345	692	1
696	345	693	1
697	346	369	1
698	346	694	1
699	346	695	1
700	348	361	1
701	348	696	1
702	349	362	2
703	349	697	1
704	350	364	1
705	350	365	1
706	350	698	1
707	351	700	1
708	351	701	1
709	352	702	1
710	353	368	1
711	353	370	1
712	353	706	1
713	354	372	1
714	354	378	1
715	354	710	1
716	355	707	1
717	355	708	1
718	355	709	1
719	356	363	1
720	359	374	2
721	359	375	1
722	360	366	1
723	360	371	1
724	360	713	1
725	361	367	2
726	361	714	1
727	362	367	1
728	362	715	1
729	363	718	1
730	363	719	1
731	364	720	1
732	364	722	1
733	364	725	1
734	365	721	1
735	365	723	1
736	365	724	1
737	368	726	1
738	368	727	1
739	371	379	1
740	371	731	1
741	371	732	1
742	372	387	1
743	372	736	1
744	372	737	1
745	373	376	1
746	373	377	1
747	373	740	1
748	374	383	1
749	374	742	1
750	375	384	2
751	375	743	1
752	377	386	1
753	377	744	1
754	377	745	1
755	379	391	2
756	380	382	1
757	380	388	1
758	380	747	1
759	381	385	1
760	381	390	1
761	381	748	1
762	382	392	1
763	382	393	1
764	382	749	1
765	383	389	2
766	383	753	1
767	384	389	1
768	384	754	1
769	386	395	1
770	386	755	1
771	386	756	1
772	390	398	1
773	390	759	1
774	390	760	1
775	391	762	1
776	392	764	1
777	392	765	1
778	392	766	1
779	393	763	1
780	393	767	1
781	393	768	1
782	394	396	1
783	396	399	1
784	396	770	1
785	397	772	1
786	399	400	1
787	399	775	1
788	399	776	1
789	400	401	2
790	400	402	1
791	401	403	1
792	401	784	1
793	402	404	2
794	402	785	1
795	403	405	2
796	403	786	1
797	404	405	1
798	404	787	1
799	405	788	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1
