@<TRIPOS>MOLECULE
76971791
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     0.1744    -4.0460     1.1183	S.3	1	noname	-0.2185
2	S2     3.6253    -7.1014     0.9596	S.3	1	noname	-0.2185
3	N1     2.9975    -1.1660    -0.9597	N.3	1	noname	-0.3023
4	C1     4.8099    -2.3931    -2.3155	C.3	1	noname	-0.0366
5	C2     3.9626    -3.6881    -1.9778	C.3	1	noname	-0.0285
6	C3     3.9663    -1.0870    -2.1017	C.3	1	noname	-0.0014
7	C4     3.0069    -3.5725    -0.8320	C.2	1	noname	-0.0223
8	C5     2.1501    -2.3955    -1.0010	C.3	1	noname	0.0200
9	C6     2.9116    -4.4016     0.2560	C.2	1	noname	0.0109
10	C7     2.1394     0.0176    -0.9659	C.3	1	noname	-0.0130
11	C8     3.8695    -5.4080     0.4963	C.2	1	noname	0.0275
12	C9     1.9017    -4.3474     1.2665	C.2	1	noname	0.0275
13	C10     1.9966    -4.6690     2.6381	C.2	1	noname	-0.0171
14	C11     5.1926    -5.1968     0.9180	C.2	1	noname	-0.0171
15	C12     0.8382    -4.7040     3.4320	C.2	1	noname	-0.0250
16	C13     5.8365    -6.2290     1.6352	C.2	1	noname	-0.0250
17	C14    -0.3497    -4.3999     2.7642	C.2	1	noname	0.0095
18	C15     5.0900    -7.3853     1.8911	C.2	1	noname	0.0095
19	H1     5.1496    -2.4409    -3.3501	H	1	noname	0.0283
20	H2     5.6393    -2.3589    -1.6091	H	1	noname	0.0283
21	H3     3.4245    -4.0128    -2.8684	H	1	noname	0.0314
22	H4     4.6267    -4.5338    -1.7996	H	1	noname	0.0314
23	H5     3.4281    -0.8479    -3.0189	H	1	noname	0.0430
24	H6     4.6107    -0.2165    -1.9791	H	1	noname	0.0430
25	H7     1.4185    -2.3598    -0.1939	H	1	noname	0.0477
26	H8     1.6929    -2.4117    -1.9904	H	1	noname	0.0477
27	H9     1.4353    -0.0398    -0.1358	H	1	noname	0.0394
28	H10     1.5899     0.0632    -1.9061	H	1	noname	0.0394
29	H11     2.7534     0.9120    -0.8602	H	1	noname	0.0394
30	H12     2.9056    -4.8758     3.0522	H	1	noname	0.0637
31	H13     5.6750    -4.3220     0.7118	H	1	noname	0.0637
32	H14     0.8631    -4.9349     4.4252	H	1	noname	0.0631
33	H15     6.8015    -6.1363     1.9524	H	1	noname	0.0631
34	H16    -1.2978    -4.3859     3.1402	H	1	noname	0.0739
35	H17     5.3337    -8.1885     2.4706	H	1	noname	0.0739
@<TRIPOS>BOND
1	1	12	1
2	1	17	1
3	2	11	1
4	2	18	1
5	3	6	1
6	3	8	1
7	3	10	1
8	4	5	1
9	4	6	1
10	4	19	1
11	4	20	1
12	5	7	1
13	5	21	1
14	5	22	1
15	6	23	1
16	6	24	1
17	7	8	1
18	7	9	2
19	8	25	1
20	8	26	1
21	9	11	1
22	9	12	1
23	10	27	1
24	10	28	1
25	10	29	1
26	11	14	2
27	12	13	2
28	13	15	1
29	13	30	1
30	14	16	1
31	14	31	1
32	15	17	2
33	15	32	1
34	16	18	2
35	16	33	1
36	17	34	1
37	18	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1