@<TRIPOS>MOLECULE
50341055
39 42 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     2.8481    -1.3177     1.1743	N.2	1	noname	-0.2233
2	C1     3.1230    -0.4334     0.2058	C.2	1	noname	0.1040
3	C2     3.8325    -2.0519     1.7104	C.2	1	noname	0.0931
4	N2     4.3825    -0.2832    -0.2265	N.2	1	noname	-0.2441
5	N3     2.1386     0.3008    -0.3303	N.3	1	noname	-0.0013
6	N4     5.0919    -1.9017     1.2781	N.2	1	noname	-0.2523
7	N5     3.5575    -2.9362     2.6789	N.3	1	noname	-0.0767
8	C3     5.3669    -1.0174     0.3096	C.2	1	noname	0.0654
9	C4     1.0092     0.7068     0.2887	C.2	1	noname	0.0107
10	C5     2.0860     0.7753    -1.5904	C.2	1	noname	-0.0682
11	C6     6.7391    -0.8538    -0.1615	C.3	1	noname	0.0700
12	N6     0.2316     1.4280    -0.5491	N.2	1	noname	-0.2339
13	N7     0.7007     0.4315     1.5633	N.3	1	noname	0.0129
14	C7     0.8577     1.4501    -1.7397	C.2	1	noname	0.0066
15	C8     3.0163     0.6373    -2.6646	C.2	1	noname	-0.0358
16	C9     0.5616     1.5759     2.2464	C.2	1	noname	-0.0306
17	C10     0.4367     1.9913    -2.9956	C.2	1	noname	-0.0099
18	C11     2.6271     1.2069    -3.9121	C.2	1	noname	-0.0472
19	C12     0.2397     1.5436     3.5982	C.2	1	noname	-0.0563
20	C13     0.7392     2.7952     1.6031	C.2	1	noname	-0.0563
21	C14     1.3530     1.8535    -4.0791	C.2	1	noname	-0.0437
22	C15     0.0954     2.7307     4.3068	C.2	1	noname	-0.0625
23	C16     0.5948     3.9823     2.3117	C.2	1	noname	-0.0625
24	C17     0.2729     3.9501     3.6635	C.2	1	noname	-0.0815
25	H1     4.2953    -3.2695     3.2828	H	1	noname	0.1273
26	H2     2.6125    -3.2695     2.8050	H	1	noname	0.1273
27	H3     7.4098    -0.7738     0.6940	H	1	noname	0.0312
28	H4     7.0213    -1.7164    -0.7650	H	1	noname	0.0312
29	H5     6.8106     0.0510    -0.7650	H	1	noname	0.0312
30	H6     0.5902    -0.4952     1.9494	H	1	noname	0.1370
31	H7     3.9705     0.1256    -2.5392	H	1	noname	0.0643
32	H8    -0.5288     2.4815    -3.1200	H	1	noname	0.0645
33	H9     3.3167     1.1469    -4.7542	H	1	noname	0.0623
34	H10     0.1005     0.5875     4.1026	H	1	noname	0.0639
35	H11     0.9916     2.8205     0.5431	H	1	noname	0.0639
36	H12     1.0737     2.2505    -5.0550	H	1	noname	0.0623
37	H13    -0.1571     2.7055     5.3668	H	1	noname	0.0623
38	H14     0.7341     4.9385     1.8073	H	1	noname	0.0623
39	H15     0.1597     4.8810     4.2192	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	2
6	3	7	1
7	4	8	2
8	5	9	1
9	5	10	1
10	6	8	1
11	8	11	1
12	9	12	2
13	9	13	1
14	10	14	2
15	10	15	1
16	12	14	1
17	13	16	1
18	14	17	1
19	15	18	2
20	16	19	2
21	16	20	1
22	17	21	2
23	18	21	1
24	19	22	1
25	20	23	2
26	22	24	2
27	23	24	1
28	7	25	1
29	7	26	1
30	11	27	1
31	11	28	1
32	11	29	1
33	13	30	1
34	15	31	1
35	17	32	1
36	18	33	1
37	19	34	1
38	20	35	1
39	21	36	1
40	22	37	1
41	23	38	1
42	24	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1