@<TRIPOS>MOLECULE
DB02407
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.4686    -2.2540     0.1973	O.3	1	noname	-0.2282
2	C1    -1.1011    -1.1335     0.5739	C.2	1	noname	0.0970
3	C2     0.7375    -1.9332    -0.4843	C.3	1	noname	0.0580
4	N1    -1.9759    -0.5686    -0.3113	N.2	1	noname	-0.2365
5	C3    -0.8896    -0.5513     1.8512	C.2	1	noname	0.0023
6	C4     1.4849    -3.2409    -0.7280	C.3	1	noname	-0.0172
7	C5    -2.6506     0.5772    -0.0350	C.2	1	noname	0.0879
8	N2    -0.1383    -0.8715     2.9009	N.2	1	noname	-0.2221
9	C6    -1.5899     0.6165     2.0965	C.2	1	noname	0.1299
10	C7     2.7380    -3.0080    -1.6548	C.3	1	noname	-0.0482
11	C8     1.6976    -3.9573     0.6536	C.3	1	noname	-0.0482
12	N3    -2.4437     1.1658     1.1813	N.2	1	noname	-0.2417
13	N4    -3.4934     1.1144    -0.9275	N.3	1	noname	-0.0786
14	C9    -0.3717     0.1071     3.8046	C.2	1	noname	-0.0443
15	N5    -1.2498     1.0162     3.3219	N.3	1	noname	0.0221
16	C10     3.9553    -3.9391    -1.3102	C.3	1	noname	-0.0529
17	C11     3.1109    -3.7270     1.2498	C.3	1	noname	-0.0529
18	C12     4.2389    -4.0589     0.2233	C.3	1	noname	-0.0533
19	H1     0.4385    -1.5236    -1.4492	H	1	noname	0.0575
20	H2     1.3225    -1.3271     0.2074	H	1	noname	0.0575
21	H3     0.8813    -3.9333    -1.3149	H	1	noname	0.0326
22	H4     2.4238    -3.2889    -2.6600	H	1	noname	0.0270
23	H5     3.0750    -1.9912    -1.4533	H	1	noname	0.0270
24	H6     1.0028    -3.4879     1.3500	H	1	noname	0.0270
25	H7     1.6311    -5.0270     0.4552	H	1	noname	0.0270
26	H8    -3.3410     2.0545    -1.2639	H	1	noname	0.1273
27	H9    -4.2812     0.5793    -1.2639	H	1	noname	0.1273
28	H10     0.0874     0.1567     4.7919	H	1	noname	0.1013
29	H11    -1.5899     1.8432     3.7914	H	1	noname	0.1552
30	H12     3.6704    -4.9388    -1.6384	H	1	noname	0.0267
31	H13     4.8334    -3.4549    -1.7375	H	1	noname	0.0267
32	H14     3.1840    -2.6583     1.4514	H	1	noname	0.0267
33	H15     3.2164    -4.4438     2.0642	H	1	noname	0.0267
34	H16     4.4483    -5.1169     0.3815	H	1	noname	0.0266
35	H17     5.0116    -3.3153     0.4181	H	1	noname	0.0266
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	1
6	4	7	1
7	5	8	1
8	5	9	2
9	6	10	1
10	6	11	1
11	7	12	2
12	7	13	1
13	8	14	2
14	9	15	1
15	9	12	1
16	10	16	1
17	11	17	1
18	14	15	1
19	16	18	1
20	17	18	1
21	3	19	1
22	3	20	1
23	6	21	1
24	10	22	1
25	10	23	1
26	11	24	1
27	11	25	1
28	13	26	1
29	13	27	1
30	14	28	1
31	15	29	1
32	16	30	1
33	16	31	1
34	17	32	1
35	17	33	1
36	18	34	1
37	18	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1