@<TRIPOS>MOLECULE
125229
38 42 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    -0.6753     0.0774    -0.0352	N.2	1	noname	-0.2378
2	C1    -0.3163    -0.8391    -0.9999	C.2	1	noname	0.0688
3	C2    -0.7969     1.4282    -0.2315	C.2	1	noname	0.0542
4	C3    -0.2632    -2.2408    -0.6899	C.2	1	noname	0.0017
5	C4     0.0008    -0.3052    -2.2769	C.2	1	noname	0.0575
6	N2    -0.5470     1.9095    -1.4861	N.2	1	noname	-0.2167
7	C5     0.0283    -2.7215     0.6295	C.2	1	noname	0.0542
8	C6    -0.3834    -3.2450    -1.6999	C.2	1	noname	-0.0146
9	N3     0.4222    -0.8549    -3.4210	N.2	1	noname	-0.2166
10	C7    -0.1517     1.0656    -2.4782	C.2	1	noname	0.1163
11	N4     0.1069    -4.0645     0.8779	N.2	1	noname	-0.2514
12	N5     0.5223    -1.8932     1.5948	N.3	1	noname	0.0107
13	C8    -0.2106    -4.6246    -1.4326	C.2	1	noname	-0.0453
14	C9     0.4887     0.1406    -4.3256	C.2	1	noname	-0.0469
15	N6     0.1382     1.3155    -3.7623	N.3	1	noname	0.0001
16	C10     0.0144    -5.0130    -0.0981	C.2	1	noname	0.0042
17	C11     1.8269    -1.9111     2.0647	C.2	1	noname	-0.0089
18	C12     2.2545    -1.0304     3.1043	C.2	1	noname	-0.0298
19	C13     2.8131    -2.8023     1.5312	C.2	1	noname	-0.0426
20	C14     3.5626    -1.0958     3.6254	C.2	1	noname	-0.0907
21	C15     1.6200    -0.0187     3.8073	C.2	1	noname	-0.0384
22	C16     4.1310    -2.8757     2.0571	C.2	1	noname	-0.0489
23	N7     3.7232    -0.1807     4.5905	N.3	1	noname	-0.0864
24	C17     4.5171    -2.0220     3.1275	C.2	1	noname	-0.0585
25	C18     2.5589     0.4787     4.7084	C.2	1	noname	-0.1292
26	H1    -1.0822     2.0961     0.5813	H	1	noname	0.1062
27	H2    -0.6178    -2.9449    -2.7212	H	1	noname	0.0631
28	H3    -0.1212    -1.2214     1.9881	H	1	noname	0.1357
29	H4    -0.2497    -5.3658    -2.2308	H	1	noname	0.0639
30	H5     0.7847     0.0134    -5.3669	H	1	noname	0.1013
31	H6     0.0999     2.2160    -4.2180	H	1	noname	0.1552
32	H7     0.1182    -6.0610     0.1830	H	1	noname	0.0839
33	H8     2.5510    -3.4488     0.6937	H	1	noname	0.0639
34	H9     0.5912     0.3174     3.6778	H	1	noname	0.0643
35	H10     4.8448    -3.5860     1.6399	H	1	noname	0.0623
36	H11     4.5631    -0.0186     5.1275	H	1	noname	0.1522
37	H12     5.5183    -2.0762     3.5550	H	1	noname	0.0642
38	H13     2.4012     1.2880     5.4213	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	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	2
15	10	15	1
16	11	16	2
17	12	17	1
18	13	16	1
19	14	15	1
20	17	18	2
21	17	19	1
22	18	20	1
23	18	21	1
24	19	22	2
25	20	23	1
26	20	24	2
27	21	25	2
28	22	24	1
29	23	25	1
30	3	26	1
31	8	27	1
32	12	28	1
33	13	29	1
34	14	30	1
35	15	31	1
36	16	32	1
37	19	33	1
38	21	34	1
39	22	35	1
40	23	36	1
41	24	37	1
42	25	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1