@<TRIPOS>MOLECULE
DB00883
24 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.0781     5.8460     2.6538	O.2	1	noname	-0.0979
2	N1     0.6522     4.9082     2.1094	N.2	1	noname	0.0542
3	O2     1.4036     4.2122     1.3670	O.3	1	noname	-0.0844
4	O3    -0.5616     4.5858     2.2608	O.3	1	noname	-0.0979
5	C1     0.6597     3.1313     0.8199	C.3	1	noname	0.1446
6	C2     1.4827     2.2272    -0.0961	C.3	1	noname	0.1178
7	C3    -0.4670     3.5058    -0.1461	C.3	1	noname	0.0791
8	O4     2.2820     1.2238     0.5529	O.3	1	noname	-0.3694
9	C4     0.4370     1.4884    -0.9076	C.3	1	noname	0.1178
10	O5    -0.7328     2.3380    -0.9536	O.3	1	noname	-0.3694
11	C5     1.5169     0.0154     0.6736	C.3	1	noname	0.0791
12	C6     0.2269     0.1683    -0.1325	C.3	1	noname	0.1446
13	O6    -0.8720     0.3105     0.7555	O.3	1	noname	-0.0844
14	N2    -1.0440    -0.7702     1.3900	N.2	1	noname	0.0542
15	O7    -1.9029    -0.8559     2.1724	O.2	1	noname	-0.0979
16	O8    -0.2834    -1.7578     1.1750	O.3	1	noname	-0.0979
17	H1     0.3419     2.7333     1.7836	H	1	noname	0.0687
18	H2     2.2329     2.8151    -0.6247	H	1	noname	0.0661
19	H3    -1.3698     3.6883     0.4368	H	1	noname	0.0596
20	H4    -0.0933     4.2712    -0.8262	H	1	noname	0.0596
21	H5     0.6650     1.3055    -1.9577	H	1	noname	0.0661
22	H6     2.1165    -0.7647     0.2046	H	1	noname	0.0596
23	H7     1.2483    -0.0629     1.7271	H	1	noname	0.0596
24	H8    -0.0381    -0.6971    -0.7398	H	1	noname	0.0687
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	5	3	1
5	5	6	1
6	5	7	1
7	6	8	1
8	6	9	1
9	7	10	1
10	8	11	1
11	9	12	1
12	9	10	1
13	11	12	1
14	12	13	1
15	13	14	1
16	14	15	2
17	14	16	1
18	5	17	1
19	6	18	1
20	7	19	1
21	7	20	1
22	9	21	1
23	11	22	1
24	11	23	1
25	12	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1