@<TRIPOS>MOLECULE
56843207
41 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     5.3995    -3.1283    -0.1738	N.3	1	noname	0.0000
2	N2    -1.8933     1.5445    -0.5848	N.3	1	noname	0.0000
3	C1     4.1756    -2.7493    -0.8781	C.3	1	noname	0.0000
4	C2     3.4145    -1.7088    -0.0542	C.3	1	noname	0.0000
5	C3     2.1337    -1.3122    -0.7912	C.3	1	noname	0.0000
6	C4     6.1268    -4.1226    -0.9611	C.3	1	noname	0.0000
7	C5     5.0562    -3.6947     1.1295	C.3	1	noname	0.0000
8	C6     6.2393    -1.9464     0.0143	C.3	1	noname	0.0000
9	C7     1.3725    -0.2716     0.0326	C.3	1	noname	0.0000
10	C8     0.0917     0.1249    -0.7044	C.3	1	noname	0.0000
11	C9    -0.6694     1.1655     0.1195	C.3	1	noname	0.0000
12	C10    -2.6206     2.5388     0.2025	C.3	1	noname	0.0000
13	C11    -3.8177     2.9094    -0.4864	C.2	1	noname	0.0000
14	C12    -4.6412     3.8071     0.0473	C.2	1	noname	0.0000
15	H1     3.5495    -3.6305    -1.0184	H	1	noname	0.0000
16	H2     4.4315    -2.3270    -1.8498	H	1	noname	0.0000
17	H3     3.1586    -2.1311     0.9175	H	1	noname	0.0000
18	H4     4.0406    -0.8276     0.0860	H	1	noname	0.0000
19	H5     1.5075    -2.1933    -0.9315	H	1	noname	0.0000
20	H6     2.3896    -0.8899    -1.7630	H	1	noname	0.0000
21	H7     7.0392    -4.4051    -0.4360	H	1	noname	0.0000
22	H8     5.5006    -5.0037    -1.1014	H	1	noname	0.0000
23	H9     6.3827    -3.7003    -1.9328	H	1	noname	0.0000
24	H10     5.9687    -3.9773     1.6546	H	1	noname	0.0000
25	H11     4.4301    -4.5759     0.9892	H	1	noname	0.0000
26	H12     4.5140    -2.9534     1.7165	H	1	noname	0.0000
27	H13     7.1517    -2.2290     0.5394	H	1	noname	0.0000
28	H14     5.6970    -1.2051     0.6013	H	1	noname	0.0000
29	H15     6.4952    -1.5241    -0.9574	H	1	noname	0.0000
30	H16     1.1166    -0.6939     1.0044	H	1	noname	0.0000
31	H17     1.9986     0.6095     0.1729	H	1	noname	0.0000
32	H18    -0.5344    -0.7562    -0.8447	H	1	noname	0.0000
33	H19     0.3476     0.5473    -1.6761	H	1	noname	0.0000
34	H20    -0.9253     0.7432     1.0912	H	1	noname	0.0000
35	H21    -0.0433     2.0467     0.2598	H	1	noname	0.0000
36	H22    -2.4803     0.7183    -0.7163	H	1	noname	0.0000
37	H23    -2.8765     2.1165     1.1742	H	1	noname	0.0000
38	H24    -1.9945     3.4199     0.3428	H	1	noname	0.0000
39	H25    -4.0334     2.4978    -1.3605	H	1	noname	0.0000
40	H26    -4.4255     4.2188     0.9215	H	1	noname	0.0000
41	H27    -5.4700     4.0637    -0.4296	H	1	noname	0.0000
@<TRIPOS>BOND
1	1	3	1
2	1	6	1
3	1	7	1
4	1	8	1
5	2	11	1
6	2	12	1
7	2	36	1
8	3	4	1
9	3	15	1
10	3	16	1
11	4	5	1
12	4	17	1
13	4	18	1
14	5	9	1
15	5	19	1
16	5	20	1
17	6	21	1
18	6	22	1
19	6	23	1
20	7	24	1
21	7	25	1
22	7	26	1
23	8	27	1
24	8	28	1
25	8	29	1
26	9	10	1
27	9	30	1
28	9	31	1
29	10	11	1
30	10	32	1
31	10	33	1
32	11	34	1
33	11	35	1
34	12	13	1
35	12	37	1
36	12	38	1
37	13	14	2
38	13	39	1
39	14	40	1
40	14	41	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1