@<TRIPOS>MOLECULE
DB02441
27 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.4989     2.7215     0.3761	O.2	1	noname	-0.2751
2	C1    -1.9603     1.6020     0.2371	C.2	1	noname	0.0735
3	N1    -2.6590     0.4396     0.0703	N.3	1	noname	-0.0156
4	C2    -0.5574     1.3983     0.2351	C.2	1	noname	0.0860
5	N2    -2.1152    -0.7655    -0.0994	N.3	1	noname	-0.0186
6	N3     0.4502     2.2989     0.3109	N.2	1	noname	-0.2091
7	C3     0.0238     0.1295     0.0998	C.2	1	noname	0.0035
8	C4    -0.7698    -1.0333    -0.0962	C.2	1	noname	0.0484
9	C5     1.6106     1.6102     0.2734	C.2	1	noname	-0.0146
10	N4     1.3612     0.2821     0.1712	N.3	1	noname	0.0154
11	O2    -0.2925    -2.1784    -0.2494	O.2	1	noname	-0.2798
12	C6     2.9408     2.2089     0.3341	C.3	1	noname	0.0518
13	C7     3.7176     1.8555    -0.9358	C.3	1	noname	-0.0467
14	C8     5.1115     2.4830    -0.8722	C.3	1	noname	-0.0557
15	C9     5.8883     2.1296    -2.1421	C.3	1	noname	-0.0654
16	H1    -3.6684     0.4742     0.0726	H	1	noname	0.1513
17	H2    -2.7653    -1.5256    -0.2395	H	1	noname	0.1513
18	H3     2.0471    -0.4591     0.1518	H	1	noname	0.1542
19	H4     2.7842     3.2876     0.3347	H	1	noname	0.0345
20	H5     3.4466     1.7311     1.1731	H	1	noname	0.0345
21	H6     3.8584     0.7747    -0.9280	H	1	noname	0.0271
22	H7     3.1960     2.3312    -1.7663	H	1	noname	0.0271
23	H8     4.9707     3.5638    -0.8800	H	1	noname	0.0264
24	H9     5.6331     2.0073    -0.0417	H	1	noname	0.0264
25	H10     5.9489     1.0458    -2.2412	H	1	noname	0.0230
26	H11     5.3755     2.5456    -3.0093	H	1	noname	0.0230
27	H12     6.8939     2.5456    -2.0805	H	1	noname	0.0230
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	4	7	2
7	5	8	1
8	6	9	2
9	7	10	1
10	7	8	1
11	8	11	2
12	9	12	1
13	9	10	1
14	12	13	1
15	13	14	1
16	14	15	1
17	3	16	1
18	5	17	1
19	10	18	1
20	12	19	1
21	12	20	1
22	13	21	1
23	13	22	1
24	14	23	1
25	14	24	1
26	15	25	1
27	15	26	1
28	15	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1