@<TRIPOS>MOLECULE
DB04334
24 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.3579    -1.6366     2.3824	O.2	1	noname	-0.2868
2	C1     1.9142    -1.0538     1.3696	C.2	1	noname	0.1001
3	C2     0.5073    -1.0660     0.9590	C.2	1	noname	0.0526
4	C3     2.7342    -0.2709     0.4408	C.2	1	noname	0.0675
5	O2    -0.3482    -1.7366     1.7080	O.3	1	noname	-0.2694
6	C4     0.0299    -0.4370    -0.1339	C.2	1	noname	0.0837
7	C5     2.2543     0.3571    -0.6516	C.2	1	noname	0.0614
8	C6     0.8510     0.3422    -1.0572	C.2	1	noname	0.0912
9	C7     3.1783     1.0844    -1.4653	C.3	1	noname	0.0010
10	O3     0.4073     0.9248    -2.0702	O.2	1	noname	-0.2972
11	C8     3.7478     0.1588    -2.5422	C.3	1	noname	0.0954
12	N1     4.6925     0.9023    -3.3742	N.3	1	noname	-0.3191
13	C9     2.6599    -0.3469    -3.3743	C.2	1	noname	0.1439
14	O4     2.4501    -1.5769    -3.4491	O.2	1	noname	-0.2495
15	O5     1.8806     0.5139    -4.0630	O.3	1	noname	-0.2139
16	H1     3.8082    -0.1430     0.5759	H	1	noname	0.0668
17	H2    -0.1514    -1.5823     2.6348	H	1	noname	0.2183
18	H3    -1.0439    -0.5612    -0.2741	H	1	noname	0.0692
19	H4     2.5881     1.8542    -1.9624	H	1	noname	0.0339
20	H5     3.9944     1.3676    -0.8005	H	1	noname	0.0339
21	H6     4.2708    -0.6951    -2.1114	H	1	noname	0.0575
22	H7     5.5598     0.4719    -3.6615	H	1	noname	0.1191
23	H8     4.4778     1.8465    -3.6615	H	1	noname	0.1191
24	H9     1.3861     1.0602    -3.4477	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	2
6	4	7	2
7	6	8	1
8	7	9	1
9	7	8	1
10	8	10	2
11	9	11	1
12	11	12	1
13	11	13	1
14	13	14	2
15	13	15	1
16	4	16	1
17	5	17	1
18	6	18	1
19	9	19	1
20	9	20	1
21	11	21	1
22	12	22	1
23	12	23	1
24	15	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1