@<TRIPOS>MOLECULE
119058031
253 258 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
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225	H87   -49.5484    20.9981    -6.7376	H	1	noname	0.0410
226	H88   -49.8455    19.2836    -0.1698	H	1	noname	0.0410
227	H89   -48.4549    18.6940    -1.1026	H	1	noname	0.0410
228	H90   -43.8452    21.6702    -5.8214	H	1	noname	0.1531
229	H91   -49.9343    27.6394    -6.1329	H	1	noname	0.2101
230	H92   -45.4606    19.7882    -5.5027	H	1	noname	0.1013
231	H93   -47.8938    22.5620    -5.1114	H	1	noname	0.1319
232	H94   -43.3876    18.8922    -1.0607	H	1	noname	0.2213
233	H95   -51.4642    28.2716     6.2628	H	1	noname	0.2101
234	H96   -45.4930    30.1435     1.4574	H	1	noname	0.1267
235	H97   -44.1341    30.1273     2.2712	H	1	noname	0.1267
236	H98   -47.1828    29.1607     2.4246	H	1	noname	0.1898
237	H99   -46.7463    23.6965    -7.7890	H	1	noname	0.0529
238	H100   -46.3504    23.6852    -6.1352	H	1	noname	0.0529
239	H101   -54.8360    27.6351     0.2912	H	1	noname	0.1271
240	H102   -56.2523    26.7398     0.2458	H	1	noname	0.1271
241	H103   -60.8720    28.4230    -3.3228	H	1	noname	0.1267
242	H104   -60.3895    27.9999    -1.8746	H	1	noname	0.1267
243	H105   -48.2632    18.5187    -4.2656	H	1	noname	0.1271
244	H106   -48.3309    16.8618    -3.9873	H	1	noname	0.1271
245	H107   -60.5505    26.9396    -4.8887	H	1	noname	0.1898
246	H108   -47.6392    26.1085    -6.8361	H	1	noname	0.1316
247	H109   -46.8899    27.9331    -7.9733	H	1	noname	0.0564
248	H110   -45.3554    26.6151    -9.8453	H	1	noname	0.0382
249	H111   -43.9084    27.0537    -8.9907	H	1	noname	0.0382
250	H112   -44.9118    29.3209    -7.3486	H	1	noname	0.1191
251	H113   -45.2790    28.3722    -6.0255	H	1	noname	0.1191
252	H114   -46.9158    28.8840    -9.9720	H	1	noname	0.1271
253	H115   -46.0561    30.1684   -10.6097	H	1	noname	0.1271
@<TRIPOS>BOND
1	1	2	1
2	1	80	1
3	2	109	1
4	3	5	1
5	3	116	1
6	4	6	1
7	4	120	1
8	5	127	1
9	6	128	1
10	7	69	2
11	8	70	2
12	9	78	2
13	10	81	2
14	11	82	2
15	12	94	1
16	12	214	1
17	13	92	2
18	14	100	2
19	15	102	2
20	16	103	2
21	17	104	2
22	18	108	1
23	18	229	1
24	19	113	1
25	19	232	1
26	20	114	1
27	20	233	1
28	21	113	2
29	22	115	2
30	23	117	2
31	24	118	2
32	25	119	2
33	26	126	2
34	27	130	2
35	28	132	2
36	29	133	2
37	30	135	2
38	31	138	2
39	32	63	1
40	32	69	1
41	32	147	1
42	33	64	1
43	33	81	1
44	33	150	1
45	34	70	1
46	34	72	1
47	34	155	1
48	35	71	1
49	35	78	1
50	35	157	1
51	36	76	1
52	36	77	1
53	36	162	1
54	37	82	1
55	37	85	1
56	37	168	1
57	38	83	1
58	38	102	1
59	38	180	1
60	39	89	1
61	39	92	1
62	39	182	1
63	40	90	1
64	40	104	1
65	40	189	1
66	41	97	1
67	41	100	1
68	41	191	1
69	42	84	1
70	42	192	1
71	42	193	1
72	43	87	1
73	43	123	1
74	43	194	1
75	44	103	1
76	44	105	1
77	44	199	1
78	45	101	1
79	45	115	1
80	45	205	1
81	46	112	1
82	46	117	1
83	46	211	1
84	47	106	1
85	47	126	1
86	47	212	1
87	48	111	1
88	48	119	1
89	48	213	1
90	49	107	1
91	49	131	1
92	49	220	1
93	50	118	1
94	50	125	1
95	50	223	1
96	51	110	1
97	51	129	2
98	52	124	1
99	52	129	1
100	52	228	1
101	121	53	1
102	53	133	1
103	53	231	1
104	54	123	1
105	54	234	1
106	54	235	1
107	55	123	2
108	55	236	1
109	56	130	1
110	56	239	1
111	56	240	1
112	57	131	1
113	57	241	1
114	57	242	1
115	58	132	1
116	58	243	1
117	58	244	1
118	59	131	2
119	59	245	1
120	60	134	1
121	60	135	1
122	60	246	1
123	136	61	1
124	61	250	1
125	61	251	1
126	62	138	1
127	62	252	1
128	62	253	1
129	63	65	1
130	63	70	1
131	63	139	1
132	64	66	1
133	64	69	1
134	64	140	1
135	65	68	1
136	65	141	1
137	65	142	1
138	66	67	1
139	66	143	1
140	66	144	1
141	67	74	1
142	67	145	1
143	67	146	1
144	68	73	1
145	68	77	2
146	71	75	1
147	71	82	1
148	71	148	1
149	72	78	1
150	72	80	1
151	72	149	1
152	73	76	1
153	73	86	2
154	74	84	1
155	74	151	1
156	74	152	1
157	75	79	1
158	75	153	1
159	75	154	1
160	76	88	2
161	77	156	1
162	79	87	1
163	79	158	1
164	79	159	1
165	80	160	1
166	80	161	1
167	81	83	1
168	83	94	1
169	83	163	1
170	84	164	1
171	84	165	1
172	85	92	1
173	85	93	1
174	85	166	1
175	86	95	1
176	86	167	1
177	87	169	1
178	87	170	1
179	88	96	1
180	88	171	1
181	89	98	1
182	89	100	1
183	89	172	1
184	90	91	1
185	90	103	1
186	90	173	1
187	91	99	1
188	91	174	1
189	91	175	1
190	93	113	1
191	93	176	1
192	93	177	1
193	94	178	1
194	94	179	1
195	95	96	2
196	95	181	1
197	96	184	1
198	97	104	1
199	97	108	1
200	97	183	1
201	98	110	1
202	98	185	1
203	98	186	1
204	99	107	1
205	99	187	1
206	99	188	1
207	101	102	1
208	101	114	1
209	101	190	1
210	105	116	1
211	105	118	1
212	105	195	1
213	106	109	1
214	106	117	1
215	106	196	1
216	107	197	1
217	107	198	1
218	108	200	1
219	108	201	1
220	109	202	1
221	109	203	1
222	110	124	2
223	111	115	1
224	111	120	1
225	111	204	1
226	112	119	1
227	112	122	1
228	112	206	1
229	114	207	1
230	114	208	1
231	116	209	1
232	116	210	1
233	120	215	1
234	120	216	1
235	121	126	1
236	121	127	1
237	121	217	1
238	122	130	1
239	122	218	1
240	122	219	1
241	124	222	1
242	125	128	1
243	125	132	1
244	125	221	1
245	127	224	1
246	127	225	1
247	128	226	1
248	128	227	1
249	129	230	1
250	133	134	1
251	134	237	1
252	134	238	1
253	135	136	1
254	136	137	1
255	136	247	1
256	137	138	1
257	137	248	1
258	137	249	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1
