@<TRIPOS>MOLECULE
DB01296
25 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.4761     1.7494     0.1112	O.3	1	noname	-0.3426
2	C1     1.5655     0.3005    -0.0796	C.3	1	noname	0.1727
3	C2     1.6964     2.6643    -1.0107	C.3	1	noname	0.1123
4	O2     0.2582    -0.2469    -0.1668	O.3	1	noname	-0.3664
5	C3     2.4125    -0.1829    -1.2930	C.3	1	noname	0.0847
6	C4     1.4927     2.0697    -2.4353	C.3	1	noname	0.1102
7	C5     0.8104     3.9002    -0.8424	C.3	1	noname	0.0722
8	N1     3.8333    -0.1061    -0.9570	N.3	1	noname	-0.3212
9	C6     2.1362     0.6553    -2.5801	C.3	1	noname	0.1026
10	O3     2.0562     2.9470    -3.3993	O.3	1	noname	-0.3874
11	O4     1.1381     4.5554     0.3741	O.3	1	noname	-0.3934
12	O5     1.3755    -0.1194    -3.4952	O.3	1	noname	-0.3884
13	H1     2.0240    -0.0480     0.8458	H	1	noname	0.0937
14	H2     2.7581     2.8858    -0.9017	H	1	noname	0.0657
15	H3    -0.0877    -0.3918     0.7169	H	1	noname	0.2133
16	H4     2.1894    -1.2316    -1.4895	H	1	noname	0.0544
17	H5     0.4299     2.0265    -2.6732	H	1	noname	0.0656
18	H6     1.0647     4.6079    -1.6315	H	1	noname	0.0591
19	H7    -0.2194     3.5637    -0.7231	H	1	noname	0.0591
20	H8     4.3713    -0.9530    -0.8409	H	1	noname	0.1189
21	H9     4.2769     0.7938    -0.8409	H	1	noname	0.1189
22	H10     3.1147     0.8275    -3.0285	H	1	noname	0.0647
23	H11     2.5152     3.6618    -2.9519	H	1	noname	0.2106
24	H12     1.3206     3.9001     1.0515	H	1	noname	0.2101
25	H13     0.7953    -0.7101    -3.0094	H	1	noname	0.2106
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	1
6	3	7	1
7	5	8	1
8	5	9	1
9	6	10	1
10	6	9	1
11	7	11	1
12	9	12	1
13	2	13	1
14	3	14	1
15	4	15	1
16	5	16	1
17	6	17	1
18	7	18	1
19	7	19	1
20	8	20	1
21	8	21	1
22	9	22	1
23	10	23	1
24	11	24	1
25	12	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1