@<TRIPOS>MOLECULE
50394889
39 42 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    -6.0413    -2.3896     0.6286	N.2	1	noname	-0.2174
2	C1    -7.0976    -1.6710     0.2243	C.2	1	noname	0.0964
3	C2    -4.8004    -1.9875     0.3219	C.2	1	noname	0.0827
4	N2    -6.9129    -0.5502    -0.4865	N.2	1	noname	-0.2276
5	N3    -8.3385    -2.0731     0.5310	N.3	1	noname	-0.0771
6	N4    -4.6157    -0.8667    -0.3889	N.2	1	noname	-0.2388
7	C3    -3.7047    -2.7330     0.7412	C.2	1	noname	0.0098
8	C4    -5.6720    -0.1481    -0.7932	C.2	1	noname	0.0686
9	C5    -2.3707    -2.3535     0.4447	C.2	1	noname	0.0623
10	C6    -3.8435    -3.9318     1.4990	C.2	1	noname	-0.0056
11	C7    -5.4708     1.0731    -1.5677	C.3	1	noname	0.0696
12	N5    -1.3193    -3.1381     0.8998	N.2	1	noname	-0.2488
13	N6    -2.1074    -1.2507    -0.2990	N.3	1	noname	0.0123
14	C8    -2.7252    -4.7019     1.9337	C.2	1	noname	-0.0423
15	C9    -1.4110    -4.2968     1.6284	C.2	1	noname	0.0085
16	C10    -0.8217    -0.9104    -0.5352	C.2	1	noname	-0.0089
17	C11    -0.0842    -0.1680     0.4285	C.2	1	noname	-0.0298
18	C12    -0.1436    -1.4749    -1.6597	C.2	1	noname	-0.0426
19	C13     1.2961     0.0091     0.2715	C.2	1	noname	-0.0907
20	C14    -0.4642     0.4411     1.6234	C.2	1	noname	-0.0384
21	C15     1.2588    -1.3044    -1.8026	C.2	1	noname	-0.0489
22	N7     1.7505     0.7462     1.2945	N.3	1	noname	-0.0864
23	C16     1.9898    -0.5499    -0.8398	C.2	1	noname	-0.0585
24	C17     0.7095     1.0162     2.1129	C.2	1	noname	-0.1292
25	H1    -9.0758    -1.3925     0.6465	H	1	noname	0.1273
26	H2    -8.5365    -3.0567     0.6465	H	1	noname	0.1273
27	H3    -4.8459    -4.2737     1.7566	H	1	noname	0.0631
28	H4    -5.3321     1.9149    -0.8893	H	1	noname	0.0312
29	H5    -4.5869     0.9634    -2.1960	H	1	noname	0.0312
30	H6    -6.3432     1.2527    -2.1960	H	1	noname	0.0312
31	H7    -2.8596    -0.6895    -0.6723	H	1	noname	0.1357
32	H8    -2.8775    -5.6152     2.5089	H	1	noname	0.0639
33	H9    -0.5210    -4.8453     1.9366	H	1	noname	0.0839
34	H10    -0.6978    -2.0375    -2.4109	H	1	noname	0.0639
35	H11    -1.4565     0.4629     2.0739	H	1	noname	0.0643
36	H12     1.7743    -1.7528    -2.6518	H	1	noname	0.0623
37	H13     2.7064     1.0449     1.4253	H	1	noname	0.1522
38	H14     3.0640    -0.4025    -0.9518	H	1	noname	0.0642
39	H15     0.8020     1.6056     3.0251	H	1	noname	0.0789
@<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	6	8	1
9	7	9	2
10	7	10	1
11	8	11	1
12	9	12	1
13	9	13	1
14	10	14	2
15	12	15	2
16	13	16	1
17	14	15	1
18	16	17	2
19	16	18	1
20	17	19	1
21	17	20	1
22	18	21	2
23	19	22	1
24	19	23	2
25	20	24	2
26	21	23	1
27	22	24	1
28	5	25	1
29	5	26	1
30	10	27	1
31	11	28	1
32	11	29	1
33	11	30	1
34	13	31	1
35	14	32	1
36	15	33	1
37	18	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