@<TRIPOS>MOLECULE
DB02120
25 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -3.1696     3.3382     1.3624	O.3	1	noname	-0.3857
2	C1    -2.1281     2.6391     0.6970	C.3	1	noname	0.1059
3	C2    -2.1406     1.2376     1.1105	C.2	1	noname	-0.0321
4	C3    -0.7592     3.3160     1.0182	C.3	1	noname	0.1116
5	C4    -1.0306     0.4910     1.2965	C.2	1	noname	-0.0451
6	C5    -3.4096     0.6167     1.3323	C.3	1	noname	0.0669
7	O2    -0.6794     4.5645     0.3464	O.3	1	noname	-0.3872
8	C6     0.4631     2.4190     0.6039	C.3	1	noname	0.1015
9	C7     0.3501     0.9568     1.1431	C.3	1	noname	0.0520
10	O3    -3.8689     0.0329     0.1222	O.3	1	noname	-0.3918
11	O4     1.6647     3.0074     1.0795	O.3	1	noname	-0.3882
12	N1     1.0440     0.8555     2.4260	N.3	1	noname	-0.3222
13	H1    -3.0522     3.2594     2.3119	H	1	noname	0.2110
14	H2    -2.3671     2.6583    -0.3663	H	1	noname	0.0677
15	H3    -0.7090     3.5614     2.0790	H	1	noname	0.0659
16	H4    -1.2596    -0.5352     1.5838	H	1	noname	0.0594
17	H5    -3.2434    -0.2030     2.0313	H	1	noname	0.0612
18	H6    -4.1121     1.4119     1.5820	H	1	noname	0.0612
19	H7    -0.6341     5.2732     0.9923	H	1	noname	0.2107
20	H8     0.5645     2.4014    -0.4812	H	1	noname	0.0648
21	H9     0.7998     0.2554     0.4403	H	1	noname	0.0535
22	H10    -3.8404    -0.9238     0.1974	H	1	noname	0.2104
23	H11     1.6633     3.0067     2.0395	H	1	noname	0.2106
24	H12     2.0530     0.8205     2.4530	H	1	noname	0.1190
25	H13     0.5143     0.8205     3.2852	H	1	noname	0.1190
@<TRIPOS>BOND
1	2	1	1
2	2	3	1
3	2	4	1
4	3	5	2
5	3	6	1
6	4	7	1
7	4	8	1
8	5	9	1
9	6	10	1
10	8	11	1
11	8	9	1
12	9	12	1
13	1	13	1
14	2	14	1
15	4	15	1
16	5	16	1
17	6	17	1
18	6	18	1
19	7	19	1
20	8	20	1
21	9	21	1
22	10	22	1
23	11	23	1
24	12	24	1
25	12	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1