@<TRIPOS>MOLECULE
76969081
37 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -1.8338    -2.8445     1.4343	S.2	1	noname	-0.1243
2	O1     1.8675    -0.7874    -0.7300	O.3	1	noname	-0.2336
3	N1     0.8849    -2.2453     1.4082	N.3	1	noname	-0.1129
4	N2     5.3515    -1.8975    -2.8386	N.3	1	noname	-0.3092
5	N3     0.3267     0.4494    -1.9402	N.2	1	noname	-0.2210
6	C1     2.1619    -2.1929    -0.8178	C.3	1	noname	0.0803
7	C2     3.6398    -2.3838    -1.1643	C.3	1	noname	-0.0120
8	C3     1.8419    -2.9325     0.5066	C.3	1	noname	0.0306
9	C4     3.9392    -1.7152    -2.5075	C.3	1	noname	0.0001
10	C5    -0.4719    -2.0109     0.8511	C.2	1	noname	-0.0029
11	C6     0.5462    -0.4747    -0.9503	C.2	1	noname	0.0777
12	C7    -0.5773    -1.0115    -0.2408	C.2	1	noname	0.0326
13	C8     0.7790    -2.9637     2.6169	C.3	1	noname	-0.0075
14	C9     5.6376    -1.2586    -4.1221	C.3	1	noname	-0.0136
15	C10     6.1786    -1.2906    -1.7969	C.3	1	noname	-0.0136
16	C11    -1.8761    -0.5835    -0.6318	C.2	1	noname	-0.0116
17	C12    -2.0589     0.3622    -1.6728	C.2	1	noname	-0.0337
18	C13    -0.9148     0.8803    -2.3244	C.2	1	noname	0.0060
19	H1     1.5039    -2.6085    -1.5810	H	1	noname	0.0623
20	H2     3.8628    -3.4487    -1.2308	H	1	noname	0.0307
21	H3     4.2565    -1.9313    -0.3877	H	1	noname	0.0307
22	H4     1.4756    -3.9346     0.2839	H	1	noname	0.0462
23	H5     2.7654    -3.0312     1.0772	H	1	noname	0.0462
24	H6     3.3226    -2.1677    -3.2840	H	1	noname	0.0431
25	H7     3.7162    -0.6503    -2.4409	H	1	noname	0.0431
26	H8     0.0759    -2.4588     3.2793	H	1	noname	0.0398
27	H9     0.4226    -3.9727     2.4097	H	1	noname	0.0398
28	H10     1.7568    -3.0150     3.0959	H	1	noname	0.0398
29	H11     7.2315    -1.4266    -2.0438	H	1	noname	0.0394
30	H12     5.9653    -1.7669    -0.8400	H	1	noname	0.0394
31	H13     5.9556    -0.2257    -1.7304	H	1	noname	0.0394
32	H14     6.6905    -1.3946    -4.3689	H	1	noname	0.0394
33	H15     5.0210    -1.7112    -4.8986	H	1	noname	0.0394
34	H16     5.4146    -0.1938    -4.0555	H	1	noname	0.0394
35	H17    -2.6927    -0.9644    -0.1538	H	1	noname	0.0631
36	H18    -2.9947     0.6624    -1.9458	H	1	noname	0.0639
37	H19    -1.0138     1.5670    -3.0721	H	1	noname	0.0840
@<TRIPOS>BOND
1	1	10	2
2	2	6	1
3	2	11	1
4	3	8	1
5	3	10	1
6	3	13	1
7	4	9	1
8	4	14	1
9	4	15	1
10	5	11	1
11	5	18	2
12	6	7	1
13	6	8	1
14	6	19	1
15	7	9	1
16	7	20	1
17	7	21	1
18	8	22	1
19	8	23	1
20	9	24	1
21	9	25	1
22	10	12	1
23	11	12	2
24	12	16	1
25	13	26	1
26	13	27	1
27	13	28	1
28	14	32	1
29	14	33	1
30	14	34	1
31	15	29	1
32	15	30	1
33	15	31	1
34	16	17	2
35	16	35	1
36	17	18	1
37	17	36	1
38	18	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1