@<TRIPOS>MOLECULE
50394880
37 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    -0.6765     0.0774    -0.0360	N.2	1	noname	-0.2170
2	C1    -0.3168    -0.8393    -0.9996	C.2	1	noname	0.0412
3	C2    -0.7975     1.4282    -0.2325	C.2	1	noname	0.0363
4	C3    -0.2624    -2.2408    -0.6886	C.2	1	noname	0.0011
5	C4     0.0002    -0.3053    -2.2773	C.2	1	noname	0.0768
6	N2    -0.5466     1.9095    -1.4868	N.2	1	noname	-0.1875
7	C5     0.0296    -2.7215     0.6291	C.2	1	noname	0.0516
8	C6    -0.3830    -3.2441    -1.6992	C.2	1	noname	-0.0175
9	N3     0.4218    -0.8543    -3.4214	N.3	1	noname	-0.0197
10	C7    -0.1519     1.0661    -2.4785	C.2	1	noname	0.0891
11	N4     0.1078    -4.0639     0.8787	N.2	1	noname	-0.2518
12	N5     0.5207    -1.8919     1.5958	N.3	1	noname	0.0120
13	C8    -0.2122    -4.6248    -1.4326	C.2	1	noname	-0.0458
14	C9     0.4889     0.1413    -4.3256	C.2	1	noname	-0.0351
15	N6     0.1386     1.3158    -3.7625	N.2	1	noname	-0.1938
16	C10     0.0140    -5.0127    -0.0965	C.2	1	noname	0.0016
17	C11     1.8286    -1.9109     2.0659	C.2	1	noname	0.0022
18	C12     2.2581    -1.0324     3.1043	C.2	1	noname	0.0015
19	C13     2.8149    -2.8033     1.5319	C.2	1	noname	-0.0391
20	C14     3.5601    -1.0956     3.6242	C.2	1	noname	0.0092
21	C15     1.6452    -0.0191     3.8185	C.2	1	noname	-0.0615
22	C16     4.1313    -2.8728     2.0597	C.2	1	noname	-0.0422
23	N7     3.6951    -0.1749     4.5841	N.2	1	noname	-0.3119
24	C17     4.5148    -2.0180     3.1295	C.2	1	noname	-0.0236
25	N8     2.5645     0.4494     4.6836	N.3	1	noname	-0.0309
26	H1    -1.0832     2.0961     0.5802	H	1	noname	0.1062
27	H2    -0.6160    -2.9423    -2.7203	H	1	noname	0.0631
28	H3     0.6452    -1.8277    -3.5726	H	1	noname	0.1538
29	H4    -0.1247    -1.2213     1.9881	H	1	noname	0.1357
30	H5    -0.2536    -5.3659    -2.2308	H	1	noname	0.0639
31	H6     0.7851     0.0143    -5.3668	H	1	noname	0.1014
32	H7     0.1179    -6.0602     0.1863	H	1	noname	0.0839
33	H8     2.5548    -3.4516     0.6952	H	1	noname	0.0639
34	H9     0.6226     0.3445     3.7179	H	1	noname	0.0813
35	H10     4.8471    -3.5820     1.6440	H	1	noname	0.0623
36	H11     5.5152    -2.0686     3.5595	H	1	noname	0.0646
37	H12     2.4196     1.1988     5.3450	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	4	7	2
7	4	8	1
8	5	9	1
9	5	10	2
10	6	10	1
11	7	11	1
12	7	12	1
13	8	13	2
14	9	14	1
15	10	15	1
16	11	16	2
17	12	17	1
18	13	16	1
19	14	15	2
20	17	18	1
21	17	19	2
22	18	20	1
23	18	21	2
24	19	22	1
25	20	23	2
26	20	24	1
27	21	25	1
28	22	24	2
29	23	25	1
30	3	26	1
31	8	27	1
32	9	28	1
33	12	29	1
34	13	30	1
35	14	31	1
36	16	32	1
37	19	33	1
38	21	34	1
39	22	35	1
40	24	36	1
41	25	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1