@<TRIPOS>MOLECULE
DB04658
25 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.8490    -0.6234    -1.4662	O.3	1	noname	-0.3729
2	C1     0.4582    -0.4625    -0.9186	C.3	1	noname	0.1448
3	N1     0.4000    -0.5891     0.5617	N.3	1	noname	-0.2819
4	C2     1.4043    -1.5740    -1.5042	C.3	1	noname	0.1247
5	C3     0.9594     0.9911    -1.1027	C.3	1	noname	-0.0061
6	C4     1.6827    -0.0120     0.9901	C.3	1	noname	0.0383
7	O2     1.5765    -1.3629    -2.8978	O.3	1	noname	-0.3857
8	C5     2.8035    -1.6035    -0.8044	C.3	1	noname	0.1115
9	C6     1.7021     1.3156     0.2051	C.3	1	noname	-0.0309
10	C7     2.8293    -1.0481     0.6703	C.3	1	noname	0.0980
11	O3     3.3127    -2.9289    -0.8200	O.3	1	noname	-0.3874
12	O4     4.0918    -0.4520     0.9296	O.3	1	noname	-0.3886
13	H1    -1.4872    -0.7019    -0.7534	H	1	noname	0.2126
14	H2    -0.3344    -0.9747     1.1380	H	1	noname	0.1255
15	H3     0.9311    -2.5525    -1.4223	H	1	noname	0.0674
16	H4     1.6926     0.9929    -1.9092	H	1	noname	0.0311
17	H5     0.0866     1.6417    -1.1581	H	1	noname	0.0311
18	H6     1.7641     0.1872     2.0587	H	1	noname	0.0493
19	H7     1.6318    -2.2104    -3.3454	H	1	noname	0.2107
20	H8     3.4920    -1.0134    -1.4092	H	1	noname	0.0657
21	H9     2.7384     1.5416    -0.0464	H	1	noname	0.0285
22	H10     1.1047     2.0408     0.7576	H	1	noname	0.0285
23	H11     2.7593    -1.8845     1.3658	H	1	noname	0.0645
24	H12     3.4310    -3.2369     0.0816	H	1	noname	0.2106
25	H13     4.2268    -0.3883     1.8779	H	1	noname	0.2106
@<TRIPOS>BOND
1	2	1	1
2	2	3	1
3	2	4	1
4	2	5	1
5	6	3	1
6	4	7	1
7	4	8	1
8	5	9	1
9	6	10	1
10	6	9	1
11	8	11	1
12	8	10	1
13	10	12	1
14	1	13	1
15	3	14	1
16	4	15	1
17	5	16	1
18	5	17	1
19	6	18	1
20	7	19	1
21	8	20	1
22	9	21	1
23	9	22	1
24	10	23	1
25	11	24	1
26	12	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1