@<TRIPOS>MOLECULE
76963090
37 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    -0.1803     0.0109    -0.4162	N.3	1	noname	0.0018
2	N2     2.8538    -2.1313     0.0014	N.2	1	noname	-0.2193
3	C1     1.6221     2.0823    -0.6528	C.2	1	noname	-0.0440
4	C2     0.2090     2.3210    -0.7887	C.2	1	noname	-0.0524
5	C3     2.5971     3.2007    -0.6987	C.3	1	noname	0.0084
6	C4    -0.3592     3.6990    -0.8822	C.3	1	noname	0.0111
7	C5     2.0166     4.3960     0.1027	C.3	1	noname	-0.0489
8	C6     0.6239     4.8389    -0.4474	C.3	1	noname	-0.0488
9	C7     1.1974    -0.2400    -0.2837	C.2	1	noname	-0.0482
10	C8     2.1549     0.8041    -0.3992	C.2	1	noname	-0.0368
11	C9    -0.7040     1.2468    -0.6833	C.2	1	noname	-0.0944
12	C10     1.6212    -1.5636    -0.0383	C.2	1	noname	0.0306
13	C11     0.6324    -2.5500     0.1670	C.2	1	noname	0.0278
14	C12    -1.1281    -0.9770    -0.2706	C.2	1	noname	-0.0869
15	C13     1.3091    -3.7507     0.3594	C.2	1	noname	0.0059
16	C14    -0.7518    -2.2979     0.0441	C.2	1	noname	-0.0217
17	C15     2.6876    -3.4486     0.2652	C.2	1	noname	0.0130
18	C16     0.8181    -5.0901     0.4589	C.2	1	noname	-0.0324
19	C17     3.6816    -4.4785     0.3412	C.2	1	noname	-0.0158
20	C18     1.7980    -6.1218     0.4341	C.2	1	noname	-0.0525
21	C19     3.2002    -5.8195     0.3983	C.2	1	noname	-0.0465
22	H1     2.7570     3.5010    -1.7342	H	1	noname	0.0316
23	H2     3.5674     2.8672    -0.3307	H	1	noname	0.0316
24	H3    -1.2699     3.7578    -0.2861	H	1	noname	0.0316
25	H4    -0.7364     3.8712    -1.8902	H	1	noname	0.0316
26	H5     1.9208     4.1175     1.1522	H	1	noname	0.0270
27	H6     2.7027     5.2424     0.0732	H	1	noname	0.0270
28	H7     0.1332     5.4832     0.2821	H	1	noname	0.0270
29	H8     0.7292     5.4833    -1.3202	H	1	noname	0.0270
30	H9     3.1571     0.6390    -0.3051	H	1	noname	0.0646
31	H10    -1.7075     1.3865    -0.8010	H	1	noname	0.0798
32	H11    -2.1151    -0.7499    -0.3920	H	1	noname	0.0795
33	H12    -1.4443    -3.0349     0.1766	H	1	noname	0.0643
34	H13    -0.1777    -5.2943     0.5429	H	1	noname	0.0629
35	H14     4.6787    -4.2639     0.3539	H	1	noname	0.0645
36	H15     1.4974    -7.0964     0.4420	H	1	noname	0.0622
37	H16     3.8724    -6.5864     0.4142	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	9	1
2	1	11	1
3	1	14	1
4	2	12	1
5	2	17	2
6	3	4	1
7	3	5	1
8	3	10	2
9	4	6	1
10	4	11	2
11	5	7	1
12	5	22	1
13	5	23	1
14	6	8	1
15	6	24	1
16	6	25	1
17	7	8	1
18	7	26	1
19	7	27	1
20	8	28	1
21	8	29	1
22	9	10	1
23	9	12	2
24	10	30	1
25	11	31	1
26	12	13	1
27	13	15	2
28	13	16	1
29	14	16	2
30	14	32	1
31	15	17	1
32	15	18	1
33	16	33	1
34	17	19	1
35	18	20	2
36	18	34	1
37	19	21	2
38	19	35	1
39	20	21	1
40	20	36	1
41	21	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1