@<TRIPOS>MOLECULE
112500384
35 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    -3.0951    -0.9590     0.8851	N.3	1	noname	-0.3009
2	C1    -1.8856    -1.7156     0.5656	C.3	1	noname	0.0108
3	C2    -3.8441    -0.6962    -0.3427	C.3	1	noname	0.0039
4	C3    -1.0167    -0.9051    -0.3982	C.3	1	noname	0.0147
5	C4    -1.1018    -1.9906     1.8505	C.3	1	noname	-0.0492
6	C5    -3.9254    -1.7335     1.8061	C.3	1	noname	-0.0128
7	C6     0.1911    -1.6606    -0.7173	C.2	1	noname	-0.0568
8	C7    -5.1099     0.0956    -0.0084	C.3	1	noname	-0.0498
9	C8    -4.2310    -2.0234    -0.9981	C.3	1	noname	-0.0498
10	C9     0.2020    -2.5273    -1.8040	C.2	1	noname	-0.0634
11	C10     1.3302    -1.5133     0.0657	C.2	1	noname	-0.0634
12	C11     1.3520    -3.2466    -2.1077	C.2	1	noname	-0.0629
13	C12     2.4801    -2.2327    -0.2381	C.2	1	noname	-0.0629
14	C13     2.4910    -3.0993    -1.3247	C.2	1	noname	-0.0681
15	H1    -2.1613    -2.6612     0.0987	H	1	noname	0.0467
16	H2    -3.2251    -0.1187    -1.0294	H	1	noname	0.0461
17	H3    -1.5751    -0.7091    -1.3136	H	1	noname	0.0332
18	H4    -0.7411     0.0405     0.0687	H	1	noname	0.0332
19	H5    -0.2001    -2.5547     1.6123	H	1	noname	0.0246
20	H6    -1.7209    -2.5681     2.5371	H	1	noname	0.0246
21	H7    -0.8262    -1.0450     2.3174	H	1	noname	0.0246
22	H8    -4.8272    -1.1694     2.0443	H	1	noname	0.0394
23	H9    -4.2011    -2.6791     1.3392	H	1	noname	0.0394
24	H10    -3.3670    -1.9294     2.7214	H	1	noname	0.0394
25	H11    -4.7894    -1.8275    -1.9135	H	1	noname	0.0246
26	H12    -4.8500    -2.6009    -0.3114	H	1	noname	0.0246
27	H13    -5.6683     0.2916    -0.9237	H	1	noname	0.0246
28	H14    -5.7289    -0.4818     0.6783	H	1	noname	0.0246
29	H15    -4.8342     1.0412     0.4585	H	1	noname	0.0246
30	H16    -3.3293    -2.5875    -1.2363	H	1	noname	0.0246
31	H17    -0.6338    -2.6354    -2.3785	H	1	noname	0.0625
32	H18     1.3221    -0.8774     0.8631	H	1	noname	0.0625
33	H19     1.3600    -3.8826    -2.9051	H	1	noname	0.0622
34	H20     3.3159    -2.1246     0.3365	H	1	noname	0.0622
35	H21     3.3349    -3.6272    -1.5476	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	1	6	1
4	2	4	1
5	2	5	1
6	2	15	1
7	3	8	1
8	3	9	1
9	3	16	1
10	4	7	1
11	4	17	1
12	4	18	1
13	5	19	1
14	5	20	1
15	5	21	1
16	6	22	1
17	6	23	1
18	6	24	1
19	7	10	2
20	7	11	1
21	8	27	1
22	8	28	1
23	8	29	1
24	9	25	1
25	9	26	1
26	9	30	1
27	10	12	1
28	10	31	1
29	11	13	2
30	11	32	1
31	12	14	2
32	12	33	1
33	13	14	1
34	13	34	1
35	14	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1