@<TRIPOS>MOLECULE
119058042
258 261 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
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222	H103   -10.5984     3.9449   -19.9355	H	1	noname	0.0587
223	H104   -19.5227    -3.1997   -26.8817	H	1	noname	0.1309
224	H105   -16.1443     5.2940    -8.2771	H	1	noname	0.1309
225	H106    -2.2512    -1.5053   -15.4645	H	1	noname	0.1309
226	H107   -17.4603     3.1290    -9.5977	H	1	noname	0.0433
227	H108   -15.9802     2.4653    -8.9922	H	1	noname	0.0433
228	H109    -2.3984     1.3153   -14.8993	H	1	noname	0.0433
229	H110    -1.7945     1.1922   -16.5018	H	1	noname	0.0433
230	H111   -16.8885    -2.6739   -27.8497	H	1	noname	0.0433
231	H112   -16.7289    -4.0565   -26.8160	H	1	noname	0.0433
232	H113   -18.0161    -1.3380   -26.1182	H	1	noname	0.0293
233	H114    -4.4355    -0.1993   -15.5831	H	1	noname	0.0293
234	H115    -3.8244    -0.1575   -17.1467	H	1	noname	0.0293
235	H116   -16.3099     4.9630   -10.7764	H	1	noname	0.0293
236	H117   -14.7380     4.3862   -10.2055	H	1	noname	0.0293
237	H118   -17.9294    -2.6865   -24.9726	H	1	noname	0.0293
238	H119   -15.0417     2.4571   -16.5043	H	1	noname	0.0571
239	H120   -13.4997     1.8504   -15.9443	H	1	noname	0.0571
240	H121    -9.2393     3.5408   -17.4732	H	1	noname	0.0571
241	H122    -8.6591     3.4221   -19.1247	H	1	noname	0.0571
242	H123   -13.1568     0.0646   -21.8251	H	1	noname	0.0571
243	H124   -13.0849     1.3526   -23.0066	H	1	noname	0.0571
244	H125    -5.0669     2.3272   -15.9214	H	1	noname	0.0433
245	H126    -4.5133     2.2312   -17.5483	H	1	noname	0.0433
246	H127   -16.6423     2.8444   -11.9960	H	1	noname	0.0433
247	H128   -15.1011     2.2031   -11.4457	H	1	noname	0.0433
248	H129   -15.5541    -1.2609   -26.2079	H	1	noname	0.0433
249	H130   -15.3989    -2.6097   -25.0903	H	1	noname	0.0433
250	H131   -14.7424     4.5767   -15.2717	H	1	noname	0.0385
251	H132   -15.6082     0.0261   -21.8677	H	1	noname	0.0385
252	H133   -15.6832     1.3560   -23.0258	H	1	noname	0.0385
253	H134   -13.1898     4.0641   -14.6375	H	1	noname	0.0385
254	H135    -8.7831     1.1775   -17.0362	H	1	noname	0.0385
255	H136    -8.1882     0.9081   -18.6773	H	1	noname	0.0385
256	H137    -6.4338     0.0780   -17.0738	H	1	noname	0.1309
257	H138   -17.0806    -0.5904   -23.8862	H	1	noname	0.1309
258	H139   -14.6478     4.7736   -12.6854	H	1	noname	0.1309
@<TRIPOS>BOND
1	1	58	1
2	1	60	1
3	2	56	1
4	2	59	1
5	3	57	1
6	3	61	1
7	44	4	1
8	4	146	1
9	59	5	1
10	5	70	1
11	60	6	1
12	6	72	1
13	61	7	1
14	7	71	1
15	50	8	1
16	8	162	1
17	51	9	1
18	9	160	1
19	49	10	1
20	10	161	1
21	53	11	1
22	11	163	1
23	52	12	1
24	12	165	1
25	54	13	1
26	13	164	1
27	14	62	2
28	15	65	1
29	15	186	1
30	16	66	1
31	16	184	1
32	17	67	1
33	17	185	1
34	18	76	2
35	19	75	2
36	20	74	2
37	21	99	1
38	21	110	1
39	22	100	1
40	22	108	1
41	23	101	1
42	23	109	1
43	24	95	2
44	25	97	2
45	26	96	2
46	27	98	2
47	28	117	2
48	29	118	2
49	30	119	2
50	31	42	1
51	31	45	1
52	31	62	1
53	48	32	1
54	32	75	1
55	32	155	1
56	47	33	1
57	33	76	1
58	33	157	1
59	46	34	1
60	34	74	1
61	34	156	1
62	35	94	1
63	35	98	1
64	35	216	1
65	36	96	1
66	36	102	1
67	36	223	1
68	37	97	1
69	37	103	1
70	37	225	1
71	38	95	1
72	38	104	1
73	38	224	1
74	39	111	1
75	39	119	1
76	39	257	1
77	40	113	1
78	40	117	1
79	40	258	1
80	41	112	1
81	41	118	1
82	41	256	1
83	42	43	1
84	42	55	1
85	42	120	1
86	43	44	1
87	43	121	1
88	43	122	1
89	44	45	1
90	44	123	1
91	45	124	1
92	45	125	1
93	46	49	1
94	46	60	1
95	46	126	1
96	47	51	1
97	47	59	1
98	47	128	1
99	48	50	1
100	48	61	1
101	48	127	1
102	49	54	1
103	49	130	1
104	50	53	1
105	50	131	1
106	51	52	1
107	51	129	1
108	52	56	1
109	52	133	1
110	53	57	1
111	53	134	1
112	54	58	1
113	54	132	1
114	55	135	1
115	55	136	1
116	55	137	1
117	56	66	1
118	56	140	1
119	57	65	1
120	57	139	1
121	58	67	1
122	58	138	1
123	59	142	1
124	60	141	1
125	61	143	1
126	62	63	1
127	63	64	1
128	63	144	1
129	63	145	1
130	64	68	1
131	64	147	1
132	64	148	1
133	65	149	1
134	65	150	1
135	66	153	1
136	66	154	1
137	67	151	1
138	67	152	1
139	68	69	1
140	68	158	1
141	68	159	1
142	69	73	1
143	69	166	1
144	69	167	1
145	70	77	1
146	70	170	1
147	70	172	1
148	71	78	1
149	71	168	1
150	71	169	1
151	72	79	1
152	72	171	1
153	72	173	1
154	73	80	1
155	73	174	1
156	73	175	1
157	74	86	1
158	75	87	1
159	76	85	1
160	77	83	1
161	77	176	1
162	77	181	1
163	78	82	1
164	78	177	1
165	78	178	1
166	79	84	1
167	79	179	1
168	79	180	1
169	80	81	1
170	80	182	1
171	80	183	1
172	81	88	1
173	81	187	1
174	81	188	1
175	82	91	1
176	82	189	1
177	82	191	1
178	83	90	1
179	83	190	1
180	83	193	1
181	84	89	1
182	84	192	1
183	84	194	1
184	85	199	1
185	85	200	1
186	85	201	1
187	86	195	1
188	86	196	1
189	86	198	1
190	87	197	1
191	87	202	1
192	87	203	1
193	88	92	1
194	88	204	1
195	88	205	1
196	89	95	1
197	89	207	1
198	89	208	1
199	90	96	1
200	90	209	1
201	90	210	1
202	91	97	1
203	91	206	1
204	91	211	1
205	92	93	1
206	92	212	1
207	92	213	1
208	93	98	1
209	93	214	1
210	93	215	1
211	94	99	1
212	94	100	1
213	94	101	1
214	99	218	1
215	99	220	1
216	100	221	1
217	100	222	1
218	101	217	1
219	101	219	1
220	102	105	1
221	102	230	1
222	102	231	1
223	103	106	1
224	103	228	1
225	103	229	1
226	104	107	1
227	104	226	1
228	104	227	1
229	105	111	1
230	105	232	1
231	105	237	1
232	106	112	1
233	106	233	1
234	106	234	1
235	107	113	1
236	107	235	1
237	107	236	1
238	108	115	1
239	108	240	1
240	108	241	1
241	109	116	1
242	109	242	1
243	109	243	1
244	110	114	1
245	110	238	1
246	110	239	1
247	111	248	1
248	111	249	1
249	112	244	1
250	112	245	1
251	113	246	1
252	113	247	1
253	114	117	1
254	114	250	1
255	114	253	1
256	115	118	1
257	115	254	1
258	115	255	1
259	116	119	1
260	116	251	1
261	116	252	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1
