@<TRIPOS>MOLECULE
91617907
38 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.0054     7.1423    -0.1417	O.3	1	noname	-0.3526
2	N1     2.2160     0.2867     0.4880	N.3	1	noname	0.0318
3	N2     1.4599     1.2530     0.0564	N.2	1	noname	-0.3007
4	N3     3.8935     0.0829     2.2585	N.2	1	noname	-0.2415
5	N4     4.2054     2.0919     3.4553	N.2	1	noname	-0.2588
6	N5     3.0207     4.0683     2.9559	N.3	1	noname	-0.1091
7	N6    -2.1012     5.2668    -0.5890	N.2	1	noname	-0.2001
8	N7    -3.2429     7.3206    -0.9610	N.3	1	noname	-0.0643
9	C1     2.2344    -1.0276    -0.0220	C.3	1	noname	-0.0116
10	C2     2.9737     0.7398     1.4937	C.2	1	noname	0.1191
11	C3     2.6474     2.0787     1.6746	C.2	1	noname	0.0011
12	C4     1.6809     2.3974     0.7365	C.2	1	noname	0.0505
13	C5     1.0442     3.6315     0.5282	C.2	1	noname	-0.0068
14	C6     0.8465    -1.6532     0.1302	C.3	1	noname	-0.0447
15	C7     2.6195    -0.9949    -1.5024	C.3	1	noname	-0.0447
16	C8     3.2924     2.7792     2.7108	C.2	1	noname	0.0615
17	C9    -0.3012     3.6505     0.0333	C.2	1	noname	0.0293
18	C10     1.7586     4.8481     0.8164	C.2	1	noname	-0.0071
19	C11    -0.8865     4.9244    -0.1502	C.2	1	noname	0.0491
20	C12    -0.1803     6.1091     0.1378	C.2	1	noname	0.0372
21	C13     1.1519     6.1196     0.6279	C.2	1	noname	0.0080
22	C14     4.5260     0.7726     3.2604	C.2	1	noname	0.0604
23	C15    -2.1717     6.6095    -0.5834	C.2	1	noname	0.1320
24	H1     2.9631    -1.6214     0.5299	H	1	noname	0.0521
25	H2     2.6338    -2.0110    -1.8967	H	1	noname	0.0250
26	H3     0.8607    -2.6693    -0.2641	H	1	noname	0.0250
27	H4     0.1178    -1.0595    -0.4218	H	1	noname	0.0250
28	H5     0.5721    -1.6766     1.1848	H	1	noname	0.0250
29	H6     1.8909    -0.4012    -2.0543	H	1	noname	0.0250
30	H7     3.6083    -0.5492    -1.6108	H	1	noname	0.0250
31	H8    -0.8091     2.7908    -0.1753	H	1	noname	0.0653
32	H9     2.7169     4.7965     1.1619	H	1	noname	0.0630
33	H10     1.6449     6.9888     0.8328	H	1	noname	0.0651
34	H11     5.2211     0.3138     3.8492	H	1	noname	0.1062
35	H12     3.5591     4.3761     3.7018	H	1	noname	0.1258
36	H13     2.0805     4.1647     3.1743	H	1	noname	0.1258
37	H14    -3.0517     8.2671    -0.8684	H	1	noname	0.1278
38	H15    -3.9997     7.0873    -0.4008	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	10	1
6	3	12	2
7	4	10	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	11	12	1
24	11	16	2
25	12	13	1
26	13	17	2
27	13	18	1
28	14	26	1
29	14	27	1
30	14	28	1
31	15	25	1
32	15	29	1
33	15	30	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