@<TRIPOS>MOLECULE
50341049
39 42 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     2.9630    -1.5336     1.1144	N.2	1	noname	-0.2217
2	C1     3.1886    -0.5127     0.2268	C.2	1	noname	0.1043
3	C2     4.0006    -2.3172     1.5397	C.2	1	noname	0.0943
4	N2     4.4670    -0.2451    -0.2092	N.2	1	noname	-0.2432
5	N3     2.1280     0.2276    -0.2434	N.3	1	noname	0.0005
6	N4     5.2581    -2.0468     1.0659	N.2	1	noname	-0.2507
7	N5     3.7927    -3.3245     2.3985	N.3	1	noname	-0.0689
8	C3     5.5211    -1.0148     0.2011	C.2	1	noname	0.0657
9	C4     0.9408     0.4856     0.3756	C.2	1	noname	0.0117
10	C5     2.0512     0.8699    -1.4277	C.2	1	noname	-0.0662
11	C6     3.9262    -2.8508     3.7198	C.3	1	noname	-0.0086
12	C7     6.8785    -0.7471    -0.2651	C.3	1	noname	0.0700
13	N6     0.1219     1.2709    -0.3458	N.2	1	noname	-0.2315
14	N7     0.5799     0.2205     1.6490	N.3	1	noname	0.0254
15	C8     0.7939     1.5211    -1.4640	C.2	1	noname	0.0072
16	C9     2.9377     0.9473    -2.5455	C.2	1	noname	-0.0355
17	C10     0.8559     1.1014     2.6501	C.2	1	noname	-0.0423
18	C11     0.3268     2.2648    -2.5764	C.2	1	noname	-0.0099
19	C12     2.4776     1.6600    -3.6928	C.2	1	noname	-0.0472
20	N8     0.4718     0.9172     3.9201	N.3	1	noname	-0.0199
21	C13     1.5682     2.3078     2.6065	C.2	1	noname	-0.0061
22	C14     1.1977     2.3000    -3.7018	C.2	1	noname	-0.0437
23	N9     0.8888     1.8954     4.6413	N.2	1	noname	-0.3292
24	C15     1.5769     2.7811     3.8972	C.2	1	noname	0.0112
25	H1     3.5756    -4.2661     2.1045	H	1	noname	0.1308
26	H2     3.9953    -3.6967     4.4038	H	1	noname	0.0396
27	H3     4.8287    -2.2448     3.7990	H	1	noname	0.0396
28	H4     3.0578    -2.2448     3.9780	H	1	noname	0.0396
29	H5     7.5383    -0.6171     0.5928	H	1	noname	0.0312
30	H6     7.2275    -1.5854    -0.8680	H	1	noname	0.0312
31	H7     6.8832     0.1609    -0.8680	H	1	noname	0.0312
32	H8     0.0994    -0.6438     1.8543	H	1	noname	0.1384
33	H9     3.9232     0.4822    -2.5238	H	1	noname	0.0643
34	H10    -0.6365     2.7748    -2.5669	H	1	noname	0.0645
35	H11     3.1137     1.7164    -4.5762	H	1	noname	0.0623
36	H12    -0.0625     0.1420     4.2860	H	1	noname	0.1765
37	H13     2.0255     2.7843     1.7393	H	1	noname	0.0670
38	H14     0.8752     2.8326    -4.5965	H	1	noname	0.0623
39	H15     2.0451     3.6943     4.2645	H	1	noname	0.0857
@<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	7	11	1
12	8	12	1
13	9	13	2
14	9	14	1
15	10	15	2
16	10	16	1
17	13	15	1
18	14	17	1
19	15	18	1
20	16	19	2
21	17	20	1
22	17	21	2
23	18	22	2
24	19	22	1
25	20	23	1
26	21	24	1
27	23	24	2
28	7	25	1
29	11	26	1
30	11	27	1
31	11	28	1
32	12	29	1
33	12	30	1
34	12	31	1
35	14	32	1
36	16	33	1
37	18	34	1
38	19	35	1
39	20	36	1
40	21	37	1
41	22	38	1
42	24	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1