@<TRIPOS>MOLECULE
71550735
26 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     2.1070    -0.1993    -0.6839	N.3	1	noname	-0.2992
2	C1     0.7679     0.4155    -0.6932	C.3	1	noname	0.0335
3	C2     0.8315     1.8698    -0.1833	C.3	1	noname	-0.0294
4	C3     0.1115     1.9495     1.1762	C.3	1	noname	0.0089
5	C4    -0.2379    -0.1856     0.1839	C.2	1	noname	-0.0511
6	C5    -0.6379     0.7024     1.2004	C.2	1	noname	-0.0482
7	C6    -0.8461    -1.4623     0.0194	C.2	1	noname	-0.0538
8	C7    -1.6703     0.3701     2.1125	C.2	1	noname	-0.0625
9	C8    -1.9170    -1.7969     0.9089	C.2	1	noname	-0.0669
10	C9    -2.3226    -0.8962     1.9393	C.2	1	noname	-0.0627
11	C10     2.0151    -1.5746    -1.1712	C.3	1	noname	0.0579
12	C11     3.2529    -2.1429    -1.1626	C.1	1	noname	-0.1006
13	C12     4.3379    -2.6411    -1.1551	C.1	1	noname	-0.1092
14	H1     0.3616     0.4178    -1.7046	H	1	noname	0.0516
15	H2     0.3345     2.5270    -0.8968	H	1	noname	0.0289
16	H3     1.8600     2.2239    -0.1123	H	1	noname	0.0289
17	H4    -0.5823     2.7902     1.1712	H	1	noname	0.0316
18	H5     0.7618     2.0006     2.0494	H	1	noname	0.0316
19	H6     2.7318     0.3360    -1.2901	H	1	noname	0.1237
20	H7    -0.5321    -2.1115    -0.7020	H	1	noname	0.0626
21	H8    -1.9392     1.0063     2.8630	H	1	noname	0.0625
22	H9    -2.3966    -2.6911     0.8049	H	1	noname	0.0622
23	H10    -3.0875    -1.1566     2.5618	H	1	noname	0.0622
24	H11     1.3487    -2.1455    -0.5247	H	1	noname	0.0567
25	H12     1.6225    -1.5743    -2.1881	H	1	noname	0.0567
26	H13     5.1758    -3.0258    -1.1493	H	1	noname	0.1238
@<TRIPOS>BOND
1	2	1	1
2	1	11	1
3	1	19	1
4	2	3	1
5	2	5	1
6	2	14	1
7	3	4	1
8	3	15	1
9	3	16	1
10	4	6	1
11	4	17	1
12	4	18	1
13	5	6	1
14	5	7	2
15	6	8	2
16	7	9	1
17	7	20	1
18	8	10	1
19	8	21	1
20	9	10	2
21	9	22	1
22	10	23	1
23	11	12	1
24	11	24	1
25	11	25	1
26	12	13	3
27	13	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1