@<TRIPOS>MOLECULE
DB00787
27 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.6882    -2.2432    -0.2308	O.2	1	noname	-0.2466
2	C1    -0.9324    -1.0271    -0.0765	C.2	1	noname	0.1448
3	N1    -2.2163    -0.5560    -0.0180	N.2	1	noname	-0.1575
4	C2     0.1062    -0.0724     0.0460	C.2	1	noname	0.0615
5	C3    -2.5463     0.7689     0.1686	C.2	1	noname	-0.0477
6	N2     1.4389    -0.1963     0.0952	N.2	1	noname	-0.2095
7	C4    -0.2294     1.2740     0.1973	C.2	1	noname	0.0087
8	N3    -1.5354     1.6919     0.2665	N.3	1	noname	0.0738
9	N4    -3.8287     1.1484     0.2529	N.3	1	noname	-0.1336
10	C5     1.9231     1.0590     0.2214	C.2	1	noname	-0.0341
11	N5     0.9235     1.9690     0.2583	N.3	1	noname	0.0146
12	C6     1.0607     3.3697     0.3436	C.3	1	noname	0.1175
13	O2     0.4604     3.9742    -0.7924	O.3	1	noname	-0.3600
14	C7     0.5985     5.3849    -0.7064	C.3	1	noname	0.0720
15	C8    -0.0483     6.0362    -1.9305	C.3	1	noname	0.0667
16	O3     0.0899     7.4469    -1.8445	O.3	1	noname	-0.3938
17	H1    -1.7510     2.6711     0.3884	H	1	noname	0.0676
18	H2    -4.0637     2.1302     0.2846	H	1	noname	0.1257
19	H3    -4.5602     0.4527     0.2846	H	1	noname	0.1257
20	H4     2.9829     1.3055     0.2852	H	1	noname	0.1016
21	H5     0.4851     3.6876     1.2130	H	1	noname	0.0784
22	H6     2.1282     3.5830     0.2891	H	1	noname	0.0784
23	H7     0.0278     5.6798     0.1741	H	1	noname	0.0591
24	H8     1.6709     5.5752    -0.7497	H	1	noname	0.0591
25	H9     0.5225     5.7413    -2.8110	H	1	noname	0.0587
26	H10    -1.1206     5.8459    -1.8872	H	1	noname	0.0587
27	H11     0.1157     7.7102    -0.9217	H	1	noname	0.2101
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	2
5	4	6	1
6	4	7	2
7	5	8	1
8	5	9	1
9	6	10	2
10	7	11	1
11	7	8	1
12	10	11	1
13	11	12	1
14	12	13	1
15	13	14	1
16	14	15	1
17	15	16	1
18	8	17	1
19	9	18	1
20	9	19	1
21	10	20	1
22	12	21	1
23	12	22	1
24	14	23	1
25	14	24	1
26	15	25	1
27	15	26	1
28	16	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1