@<TRIPOS>MOLECULE
76967851
35 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	I1    -0.0023     3.7937     1.9763	I	1	noname	-0.0413
2	I2     2.9170     2.0631    -2.9210	I	1	noname	-0.0413
3	I3     4.3036    -0.3628     2.3873	I	1	noname	-0.0413
4	I4     6.7715     5.0426     1.9483	I	1	noname	-0.0413
5	O1     2.1165     3.6973    -0.3512	O.3	1	noname	-0.1954
6	O2     6.3199     2.0295     2.7439	O.3	1	noname	-0.2667
7	N1    -1.9261    -2.8535    -0.4460	N.3	1	noname	-0.3301
8	C1    -1.4958    -0.5167    -1.0153	C.3	1	noname	0.0133
9	C2    -0.5524     0.5839    -0.8418	C.2	1	noname	-0.0483
10	C3    -0.9813    -1.7514    -0.2724	C.3	1	noname	-0.0036
11	C4     0.4865     0.7582    -1.7487	C.2	1	noname	-0.0247
12	C5    -0.6930     1.4575     0.2302	C.2	1	noname	-0.0247
13	C6     1.2441     2.6796    -0.5116	C.2	1	noname	0.0440
14	C7     0.2052     2.5053     0.3953	C.2	1	noname	0.0160
15	C8     1.3848     1.8061    -1.5836	C.2	1	noname	0.0160
16	C9     3.1520     3.2865     0.4113	C.2	1	noname	0.0064
17	C10     4.1837     4.1670     0.7152	C.2	1	noname	0.0136
18	C11     3.1865     1.9829     0.8925	C.2	1	noname	0.0136
19	C12     5.2844     2.4403     1.9814	C.2	1	noname	0.0408
20	C13     4.2527     1.5598     1.6776	C.2	1	noname	0.0221
21	C14     5.2499     3.7439     1.5002	C.2	1	noname	0.0221
22	C15     7.3390     1.4965     1.9108	C.3	1	noname	0.0424
23	H1    -2.4673    -0.2293    -0.6132	H	1	noname	0.0329
24	H2    -1.5952    -0.7463    -2.0762	H	1	noname	0.0329
25	H3    -0.8820    -1.5218     0.7886	H	1	noname	0.0428
26	H4    -0.0099    -2.0388    -0.6745	H	1	noname	0.0428
27	H5     0.5898     0.1172    -2.5353	H	1	noname	0.0637
28	H6    -1.4554     1.3296     0.8956	H	1	noname	0.0637
29	H7     4.1584     5.1236     0.3620	H	1	noname	0.0662
30	H8     2.4294     1.3367     0.6695	H	1	noname	0.0662
31	H9    -1.5824    -3.6782     0.0502	H	1	noname	0.1184
32	H10    -2.8370    -2.5840    -0.0690	H	1	noname	0.1184
33	H11     8.1750     1.1648     2.5264	H	1	noname	0.0535
34	H12     6.9434     0.6505     1.3488	H	1	noname	0.0535
35	H13     7.6806     2.2653     1.2177	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	14	1
2	2	15	1
3	3	20	1
4	4	21	1
5	5	13	1
6	5	16	1
7	6	19	1
8	6	22	1
9	7	10	1
10	7	31	1
11	7	32	1
12	8	9	1
13	8	10	1
14	8	23	1
15	8	24	1
16	9	11	2
17	9	12	1
18	10	25	1
19	10	26	1
20	11	15	1
21	11	27	1
22	12	14	2
23	12	28	1
24	13	14	1
25	13	15	2
26	16	17	2
27	16	18	1
28	17	21	1
29	17	29	1
30	18	20	2
31	18	30	1
32	19	20	1
33	19	21	2
34	22	33	1
35	22	34	1
36	22	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1