@<TRIPOS>MOLECULE
50396325
37 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    -0.3758    -0.7546    -3.1992	N.2	1	noname	-0.2559
2	C1     0.7895    -0.0273    -3.1699	C.2	1	noname	0.0402
3	C2    -1.1500    -1.0387    -2.1026	C.2	1	noname	0.0558
4	N2     1.4594     0.2084    -4.3062	N.3	1	noname	-0.1158
5	C3     1.2862     0.4759    -1.9354	C.2	1	noname	-0.0090
6	N3    -0.6658    -0.5509    -0.9127	N.2	1	noname	-0.2621
7	C4    -2.3923    -1.8003    -2.1930	C.3	1	noname	0.0671
8	C5     0.5101     0.1652    -0.7786	C.2	1	noname	0.0339
9	C6     0.9018     0.5817     0.5437	C.2	1	noname	-0.1054
10	N4     0.2206     0.4454     1.7177	N.3	1	noname	-0.1166
11	C7     2.0845     1.2622     0.9413	C.2	1	noname	0.0607
12	C8     0.9623     1.0281     2.7171	C.2	1	noname	0.0102
13	C9    -1.0070    -0.1433     1.9857	C.2	1	noname	-0.0803
14	N5     2.1066     1.5139     2.2567	N.2	1	noname	-0.1959
15	N6     3.0439     1.8467     0.2024	N.3	1	noname	0.0241
16	C10     0.5746     1.0877     4.0795	C.2	1	noname	0.0087
17	C11    -1.4611    -0.1581     3.3350	C.2	1	noname	-0.0399
18	C12     2.9056     3.1453    -0.2004	C.2	1	noname	-0.0431
19	C13    -0.6674     0.4512     4.3560	C.2	1	noname	-0.0021
20	N7     3.8330     3.7915    -0.9153	N.3	1	noname	-0.0211
21	C14     1.8368     4.0207    -0.0266	C.2	1	noname	-0.0077
22	N8     3.4206     4.9859    -1.1826	N.2	1	noname	-0.3308
23	C15     2.1986     5.1907    -0.6671	C.2	1	noname	0.0107
24	H1     0.9584     0.2973    -5.1786	H	1	noname	0.1257
25	H2     2.4653     0.2973    -4.2902	H	1	noname	0.1257
26	H3     2.2033     1.0623    -1.8794	H	1	noname	0.0679
27	H4    -2.7557    -2.0231    -1.1898	H	1	noname	0.0312
28	H5    -3.1395    -1.2145    -2.7283	H	1	noname	0.0312
29	H6    -2.2091    -2.7320    -2.7283	H	1	noname	0.0312
30	H7    -1.5892    -0.5753     1.1717	H	1	noname	0.0796
31	H8     3.8639     1.3132    -0.0488	H	1	noname	0.1371
32	H9     1.1764     1.5782     4.8446	H	1	noname	0.0659
33	H10    -2.4100    -0.6327     3.5848	H	1	noname	0.0636
34	H11    -1.0232     0.4296     5.3861	H	1	noname	0.0624
35	H12     4.7260     3.4262    -1.2138	H	1	noname	0.1765
36	H13     0.9043     3.8287     0.5042	H	1	noname	0.0670
37	H14     1.6221     6.1120    -0.7509	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	5	8	2
8	6	8	1
9	8	9	1
10	9	10	1
11	9	11	2
12	10	12	1
13	10	13	1
14	11	14	1
15	11	15	1
16	12	16	1
17	12	14	2
18	13	17	2
19	15	18	1
20	16	19	2
21	17	19	1
22	18	20	1
23	18	21	2
24	20	22	1
25	21	23	1
26	22	23	2
27	4	24	1
28	4	25	1
29	5	26	1
30	7	27	1
31	7	28	1
32	7	29	1
33	13	30	1
34	15	31	1
35	16	32	1
36	17	33	1
37	19	34	1
38	20	35	1
39	21	36	1
40	23	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1