@<TRIPOS>MOLECULE
91617593
38 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -5.6527     1.2148    -1.1572	O.3	1	noname	-0.3526
2	N1     1.6598     2.2335     0.6842	N.3	1	noname	0.0318
3	N2     0.5942     1.8104     0.0599	N.2	1	noname	-0.3007
4	N3     2.0512     3.7192     2.5946	N.2	1	noname	-0.2415
5	N4     0.0997     4.6381     3.5418	N.2	1	noname	-0.2588
6	N5    -1.9860     4.0823     2.7597	N.3	1	noname	-0.1091
7	N6    -4.0895    -0.3911    -1.4119	N.2	1	noname	-0.2001
8	N7    -6.2988    -0.8367    -2.1481	N.3	1	noname	-0.0643
9	C1     3.0032     1.8595     0.3683	C.3	1	noname	-0.0116
10	C2    -0.0723     3.1740     1.6460	C.2	1	noname	0.0011
11	C3     1.3029     3.0655     1.6716	C.2	1	noname	0.1191
12	C4    -0.5170     2.3665     0.5914	C.2	1	noname	0.0505
13	C5    -1.8266     2.1405     0.1096	C.2	1	noname	-0.0068
14	C6     3.1687     0.3335     0.5290	C.3	1	noname	-0.0447
15	C7     3.3320     2.2867    -1.0776	C.3	1	noname	-0.0447
16	C8    -0.6676     3.9915     2.6236	C.2	1	noname	0.0615
17	C9    -2.1855     0.8757    -0.4183	C.2	1	noname	0.0293
18	C10    -2.8062     3.1726     0.1061	C.2	1	noname	-0.0071
19	C11    -3.5071     0.6709    -0.8317	C.2	1	noname	0.0491
20	C12    -4.4809     1.6551    -0.6732	C.2	1	noname	0.0372
21	C13    -4.1641     2.9129    -0.1539	C.2	1	noname	0.0080
22	C14     1.4414     4.4943     3.5274	C.2	1	noname	0.0604
23	C15    -5.3766    -0.0400    -1.5964	C.2	1	noname	0.1320
24	H1     3.7174     2.3548     1.0428	H	1	noname	0.0521
25	H2     4.3600     2.0096    -1.3215	H	1	noname	0.0250
26	H3     2.6551     1.7868    -1.7757	H	1	noname	0.0250
27	H4     3.2173     3.3679    -1.1819	H	1	noname	0.0250
28	H5     4.1959     0.0454     0.2942	H	1	noname	0.0250
29	H6     2.4901    -0.1874    -0.1517	H	1	noname	0.0250
30	H7     2.9393     0.0399     1.5559	H	1	noname	0.0250
31	H8    -1.4953     0.1249    -0.5376	H	1	noname	0.0653
32	H9    -2.5525     4.1216     0.3448	H	1	noname	0.0630
33	H10    -4.8629     3.6398    -0.0108	H	1	noname	0.0651
34	H11     1.9746     4.9710     4.2314	H	1	noname	0.1062
35	H12    -2.5327     3.4447     2.2973	H	1	noname	0.1258
36	H13    -2.2735     4.9803     2.5319	H	1	noname	0.1258
37	H14    -7.1515    -0.3750    -2.1733	H	1	noname	0.1278
38	H15    -6.3847    -1.6458    -1.6202	H	1	noname	0.1278
@<TRIPOS>BOND
1	1	20	1
2	1	23	1
3	2	3	1
4	2	9	1
5	2	11	1
6	3	12	2
7	4	11	2
8	4	22	1
9	5	16	1
10	5	22	2
11	6	16	1
12	6	35	1
13	6	36	1
14	7	19	1
15	7	23	2
16	8	23	1
17	8	37	1
18	8	38	1
19	9	14	1
20	9	15	1
21	9	24	1
22	10	11	1
23	10	12	1
24	10	16	2
25	12	13	1
26	13	17	2
27	13	18	1
28	14	28	1
29	14	29	1
30	14	30	1
31	15	25	1
32	15	26	1
33	15	27	1
34	17	19	1
35	17	31	1
36	18	21	2
37	18	32	1
38	19	20	2
39	20	21	1
40	21	33	1
41	22	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1