@<TRIPOS>MOLECULE
DB03225
27 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.2146    -3.2652    -0.0949	O.2	1	noname	-0.2495
2	C1     3.4957    -2.5066     0.5909	C.2	1	noname	0.1439
3	O2     2.7790    -3.0047     1.6208	O.3	1	noname	-0.2139
4	C2     3.4311    -1.0820     0.2780	C.3	1	noname	0.0954
5	N1     3.8867    -0.3085     1.4319	N.3	1	noname	-0.3191
6	C3     1.9882    -0.6981    -0.0559	C.3	1	noname	-0.0011
7	C4     1.9237     0.7265    -0.3689	C.2	1	noname	-0.0315
8	C5     1.6992     1.7764     0.5194	C.2	1	noname	-0.0322
9	C6     2.0741     1.3259    -1.6235	C.2	1	noname	-0.1057
10	C7     1.7506     2.9728    -0.2144	C.2	1	noname	-0.0886
11	C8     1.3383     1.7449     1.9024	C.2	1	noname	-0.0400
12	N2     1.9807     2.6693    -1.5046	N.3	1	noname	-0.0759
13	C9     1.4662     4.2432     0.3845	C.2	1	noname	-0.0441
14	C10     1.0025     2.9979     2.4982	C.2	1	noname	-0.0540
15	C11     1.0714     4.2224     1.7557	C.2	1	noname	-0.0512
16	H1     2.7998    -3.9640     1.5909	H	1	noname	0.2213
17	H2     4.1083    -0.8860    -0.5534	H	1	noname	0.0575
18	H3     4.8576    -0.0413     1.5093	H	1	noname	0.1191
19	H4     3.2304    -0.0413     2.1517	H	1	noname	0.1191
20	H5     1.7127    -1.2192    -0.9728	H	1	noname	0.0338
21	H6     1.3939    -0.8338     0.8477	H	1	noname	0.0338
22	H7     2.2422     0.8130    -2.5705	H	1	noname	0.0792
23	H8     1.3202     0.8157     2.4718	H	1	noname	0.0629
24	H9     2.0685     3.3373    -2.2570	H	1	noname	0.1522
25	H10     1.5461     5.1761    -0.1736	H	1	noname	0.0642
26	H11     0.6871     3.0202     3.5413	H	1	noname	0.0622
27	H12     0.8170     5.1619     2.2463	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	6	7	1
7	7	8	1
8	7	9	2
9	8	10	2
10	8	11	1
11	9	12	1
12	10	13	1
13	10	12	1
14	11	14	2
15	13	15	2
16	14	15	1
17	3	16	1
18	4	17	1
19	5	18	1
20	5	19	1
21	6	20	1
22	6	21	1
23	9	22	1
24	11	23	1
25	12	24	1
26	13	25	1
27	14	26	1
28	15	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1