@<TRIPOS>MOLECULE
50341045
36 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     2.8526    -1.3448     1.2121	N.2	1	noname	-0.2232
2	C1     3.1332    -0.4540     0.2152	C.2	1	noname	0.1040
3	C2     3.8468    -2.0993     1.7622	C.2	1	noname	0.0931
4	N2     4.4297    -0.2883    -0.2092	N.2	1	noname	-0.2441
5	N3     2.1150     0.2537    -0.3747	N.3	1	noname	-0.0005
6	N4     5.1207    -1.9317     1.3010	N.2	1	noname	-0.2523
7	N5     3.5795    -2.9840     2.7324	N.3	1	noname	-0.0767
8	C3     5.4399    -1.0304     0.3260	C.2	1	noname	0.0654
9	C4     0.9251     0.6407     0.1725	C.2	1	noname	0.0109
10	C5     2.0899     0.7441    -1.6324	C.2	1	noname	-0.0673
11	C6     6.8178    -0.8672    -0.1281	C.3	1	noname	0.0700
12	N6     0.1492     1.3482    -0.6683	N.2	1	noname	-0.2329
13	N7     0.5140     0.5333     1.4519	N.3	1	noname	0.0274
14	C7     0.8577     1.4265    -1.7930	C.2	1	noname	0.0068
15	C8     3.0090     0.6483    -2.7283	C.2	1	noname	-0.0357
16	C9     0.7855     1.5194     2.3606	C.2	1	noname	0.0197
17	C10     0.4440     2.0349    -3.0048	C.2	1	noname	-0.0099
18	C11     2.6031     1.2252    -3.9675	C.2	1	noname	-0.0472
19	C12     0.3463     1.5032     3.6678	C.2	1	noname	0.0413
20	C13     1.5427     2.6841     2.2092	C.2	1	noname	-0.1076
21	C14     1.3462     1.8989    -4.0981	C.2	1	noname	-0.0437
22	N8     0.8324     2.6163     4.2261	N.2	1	noname	-0.2975
23	N9     1.5282     3.3120     3.3886	N.3	1	noname	-0.0531
24	H1     4.3221    -3.3174     3.3304	H	1	noname	0.1273
25	H2     2.6355    -3.3174     2.8658	H	1	noname	0.1273
26	H3     7.4782    -0.7890     0.7356	H	1	noname	0.0312
27	H4     7.1068    -1.7292    -0.7295	H	1	noname	0.0312
28	H5     6.8974     0.0384    -0.7295	H	1	noname	0.0312
29	H6    -0.0000    -0.2900     1.7312	H	1	noname	0.1371
30	H7     3.9764     0.1571    -2.6236	H	1	noname	0.0643
31	H8    -0.5018     2.5700    -3.0899	H	1	noname	0.0645
32	H9     3.2652     1.1500    -4.8301	H	1	noname	0.0623
33	H10    -0.2685     0.7530     4.1652	H	1	noname	0.0873
34	H11     2.0589     3.0433     1.3189	H	1	noname	0.0823
35	H12     1.0667     2.3225    -5.0627	H	1	noname	0.0623
36	H13     1.9787     4.1872     3.6147	H	1	noname	0.1747
@<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	1
21	16	20	2
22	17	21	2
23	18	21	1
24	19	22	2
25	20	23	1
26	22	23	1
27	7	24	1
28	7	25	1
29	11	26	1
30	11	27	1
31	11	28	1
32	13	29	1
33	15	30	1
34	17	31	1
35	18	32	1
36	19	33	1
37	20	34	1
38	21	35	1
39	23	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1