@<TRIPOS>MOLECULE
50336404
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.1100    -1.4209    -1.7253	O.2	1	noname	-0.2739
2	C1     2.3109    -0.9242    -0.5960	C.2	1	noname	0.1007
3	N1     3.5151    -1.1986     0.1061	N.3	1	noname	-0.1275
4	C2     1.3033    -0.0486     0.0220	C.2	1	noname	0.0316
5	C3     4.1965    -2.3753     0.0107	C.2	1	noname	-0.0342
6	C4    -0.0700    -0.2541    -0.3396	C.2	1	noname	0.0624
7	C5     1.6950     1.0352     0.8520	C.2	1	noname	0.0023
8	N2     5.3324    -2.5613     0.6755	N.3	1	noname	-0.0025
9	C6     3.9161    -3.5393    -0.7055	C.2	1	noname	0.0171
10	N3    -0.4904    -1.2962    -1.1400	N.2	1	noname	-0.2537
11	C7    -1.0293     0.7097     0.1489	C.2	1	noname	-0.0225
12	C8     0.7357     1.9630     1.3338	C.2	1	noname	-0.0363
13	N4     5.7957    -3.7412     0.4099	N.2	1	noname	-0.2994
14	C9     4.9712    -4.3954    -0.4279	C.2	1	noname	0.0212
15	C10    -1.7934    -1.4674    -1.5064	C.2	1	noname	0.0546
16	C11    -2.3764     0.5085    -0.2503	C.2	1	noname	0.0439
17	C12    -0.6226     1.7946     0.9671	C.2	1	noname	-0.0118
18	C13     1.1410     3.0720     2.1925	C.3	1	noname	-0.0003
19	N5    -2.7030    -0.5537    -1.0481	N.2	1	noname	-0.2488
20	C14    -2.2017    -2.5830    -2.3552	C.3	1	noname	0.0665
21	N6    -3.3289     1.3597     0.1545	N.3	1	noname	-0.1130
22	H1     3.9173    -0.5044     0.7196	H	1	noname	0.1387
23	H2     2.7439     1.1564     1.1225	H	1	noname	0.0634
24	H3     5.7798    -1.9003     1.2943	H	1	noname	0.1765
25	H4     3.0562    -3.7376    -1.3454	H	1	noname	0.0670
26	H5     5.1257    -5.4070    -0.8031	H	1	noname	0.0857
27	H6    -1.3655     2.5101     1.3196	H	1	noname	0.0633
28	H7     1.0344     2.7802     3.2373	H	1	noname	0.0279
29	H8     2.1816     3.3262     1.9906	H	1	noname	0.0279
30	H9     0.5098     3.9373     1.9906	H	1	noname	0.0279
31	H10    -2.5086    -3.4216    -1.7303	H	1	noname	0.0312
32	H11    -3.0364    -2.2742    -2.9845	H	1	noname	0.0312
33	H12    -1.3648    -2.8859    -2.9845	H	1	noname	0.0312
34	H13    -3.1051     2.3327     0.3071	H	1	noname	0.1258
35	H14    -4.2707     1.0282     0.3071	H	1	noname	0.1258
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	4	7	2
7	5	8	1
8	5	9	2
9	6	10	2
10	6	11	1
11	7	12	1
12	8	13	1
13	9	14	1
14	10	15	1
15	11	16	2
16	11	17	1
17	12	18	1
18	12	17	2
19	13	14	2
20	15	19	2
21	15	20	1
22	16	21	1
23	16	19	1
24	3	22	1
25	7	23	1
26	8	24	1
27	9	25	1
28	14	26	1
29	17	27	1
30	18	28	1
31	18	29	1
32	18	30	1
33	20	31	1
34	20	32	1
35	20	33	1
36	21	34	1
37	21	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1