@<TRIPOS>MOLECULE
DB02437
28 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     5.3132    -2.6871     0.1414	O.2	1	noname	-0.2550
2	C1     4.3296    -2.2926    -0.5215	C.2	1	noname	0.0425
3	O2     4.1676    -2.7022    -1.7976	O.3	1	noname	-0.2128
4	N1     3.4362    -1.4630     0.0344	N.3	1	noname	-0.0397
5	C2     2.3267    -1.0179    -0.7134	C.3	1	noname	0.0050
6	C3     1.4702    -0.0886     0.1489	C.3	1	noname	-0.0400
7	C4     0.2663     0.3943    -0.6626	C.3	1	noname	-0.0505
8	C5    -0.5903     1.3236     0.1997	C.3	1	noname	-0.0357
9	C6    -1.7941     1.8066    -0.6117	C.3	1	noname	0.0274
10	N2    -2.6126     2.6946     0.2122	N.3	1	noname	-0.3257
11	C7    -2.6303     0.6024    -1.0495	C.3	1	noname	0.0583
12	O3    -3.7476     1.0506    -1.8026	O.3	1	noname	-0.3946
13	H1     4.1638    -3.6618    -1.8277	H	1	noname	0.2227
14	H2     3.5946    -1.1808     0.9912	H	1	noname	0.1334
15	H3     2.7464    -0.4319    -1.5310	H	1	noname	0.0433
16	H4     1.7451    -1.9144    -0.9279	H	1	noname	0.0433
17	H5     1.0766    -0.6922     0.9668	H	1	noname	0.0279
18	H6     2.0779     0.7904     0.3637	H	1	noname	0.0279
19	H7     0.6598     0.9979    -1.4804	H	1	noname	0.0267
20	H8    -0.3414    -0.4847    -0.8773	H	1	noname	0.0267
21	H9    -0.9838     0.7200     1.0176	H	1	noname	0.0283
22	H10     0.0175     2.2026     0.4145	H	1	noname	0.0283
23	H11    -1.4684     2.3839    -1.4770	H	1	noname	0.0486
24	H12    -2.2522     3.5941     0.4969	H	1	noname	0.1187
25	H13    -3.5385     2.4085     0.4969	H	1	noname	0.1187
26	H14    -2.0321     0.0096    -1.7415	H	1	noname	0.0579
27	H15    -3.0488     0.1391    -0.1560	H	1	noname	0.0579
28	H16    -4.4449     1.3303    -1.2050	H	1	noname	0.2100
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	5	6	1
6	6	7	1
7	7	8	1
8	8	9	1
9	9	10	1
10	9	11	1
11	11	12	1
12	3	13	1
13	4	14	1
14	5	15	1
15	5	16	1
16	6	17	1
17	6	18	1
18	7	19	1
19	7	20	1
20	8	21	1
21	8	22	1
22	9	23	1
23	10	24	1
24	10	25	1
25	11	26	1
26	11	27	1
27	12	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1