@<TRIPOS>MOLECULE
125228
35 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    -0.6473     0.0669    -0.0056	N.2	1	noname	-0.2378
2	C1    -0.2702    -0.8277    -0.9829	C.2	1	noname	0.0688
3	C2    -0.7902     1.4071    -0.2034	C.2	1	noname	0.0542
4	C3    -0.2120    -2.2105    -0.6847	C.2	1	noname	0.0017
5	C4     0.0180    -0.3173    -2.2581	C.2	1	noname	0.0575
6	N2    -0.5515     1.8782    -1.4597	N.2	1	noname	-0.2167
7	C5     0.0756    -2.6650     0.6285	C.2	1	noname	0.0542
8	C6    -0.3688    -3.2149    -1.6894	C.2	1	noname	-0.0146
9	N3     0.4377    -0.8924    -3.3976	N.2	1	noname	-0.2166
10	C7    -0.1638     1.0408    -2.4648	C.2	1	noname	0.1163
11	N4     0.2190    -4.0113     0.8727	N.2	1	noname	-0.2513
12	N5     0.4930    -1.8110     1.6059	N.3	1	noname	0.0085
13	C8    -0.1986    -4.5929    -1.4143	C.2	1	noname	-0.0453
14	C9     0.4854     0.0964    -4.3026	C.2	1	noname	-0.0469
15	N6     0.1168     1.2724    -3.7483	N.3	1	noname	0.0001
16	C10     0.1214    -4.9756    -0.0893	C.2	1	noname	0.0043
17	C11     1.7814    -1.8584     2.0736	C.2	1	noname	-0.0326
18	C12     2.1926    -0.9885     3.1156	C.2	1	noname	-0.0057
19	C13     2.7484    -2.7805     1.5473	C.2	1	noname	-0.0408
20	N7     3.4946    -1.1299     3.5572	N.2	1	noname	-0.2692
21	C14     4.0650    -2.9386     2.0098	C.2	1	noname	-0.0379
22	C15     4.3932    -2.0567     3.0544	C.2	1	noname	-0.0021
23	N8     5.6227    -2.1148     3.5841	N.3	1	noname	-0.1244
24	H1    -1.0828     2.0733     0.6081	H	1	noname	0.1062
25	H2    -0.6286    -2.9183    -2.7056	H	1	noname	0.0631
26	H3    -0.1572    -1.1382     1.9863	H	1	noname	0.1358
27	H4    -0.3108    -5.3389    -2.2011	H	1	noname	0.0639
28	H5     0.7822    -0.0371    -5.3429	H	1	noname	0.1013
29	H6     0.0609     2.1678    -4.2122	H	1	noname	0.1552
30	H7     0.2930    -6.0149     0.1908	H	1	noname	0.0839
31	H8     1.5346    -0.2413     3.5592	H	1	noname	0.0857
32	H9     2.4546    -3.4222     0.7166	H	1	noname	0.0641
33	H10     4.7608    -3.6707     1.6000	H	1	noname	0.0656
34	H11     6.0447    -3.0104     3.7838	H	1	noname	0.1257
35	H12     6.1273    -1.2629     3.7838	H	1	noname	0.1257
@<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	19	21	2
24	20	22	2
25	21	22	1
26	22	23	1
27	3	24	1
28	8	25	1
29	12	26	1
30	13	27	1
31	14	28	1
32	15	29	1
33	16	30	1
34	18	31	1
35	19	32	1
36	21	33	1
37	23	34	1
38	23	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1