@<TRIPOS>MOLECULE
DB07114
23 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -1.7246     0.0110     0.8244	S	1	noname	-0.0429
2	O1    -1.5389     1.0407     2.0216	O.2	1	noname	-0.1910
3	O2    -2.4077    -1.3175     1.3691	O.2	1	noname	-0.1910
4	N1    -0.2238    -0.3600     0.1668	N.3	1	noname	0.0848
5	C1    -2.7697     0.7467    -0.4431	C.3	1	noname	0.0605
6	C2    -0.3850    -1.1850    -0.8768	C.2	1	noname	0.0013
7	C3    -0.5566    -0.6644    -2.1541	C.2	1	noname	-0.0277
8	C4    -0.3806    -2.5612    -0.6820	C.2	1	noname	-0.0277
9	C5    -0.7238    -1.5201    -3.2367	C.2	1	noname	-0.0028
10	C6    -0.5478    -3.4169    -1.7645	C.2	1	noname	-0.0028
11	C7    -0.7194    -2.8964    -3.0419	C.2	1	noname	-0.0182
12	C8    -0.8865    -3.7521    -4.1244	C.2	1	noname	0.0792
13	O3    -0.8826    -4.9897    -3.9492	O.2	1	noname	-0.2603
14	O4    -1.0532    -3.2465    -5.3650	O.3	1	noname	-0.2195
15	H1     0.7269    -0.1004     0.3877	H	1	noname	0.1502
16	H2    -3.5724     1.3118     0.0307	H	1	noname	0.0440
17	H3    -2.1725     1.4147    -1.0638	H	1	noname	0.0440
18	H4    -3.1971    -0.0408    -1.0638	H	1	noname	0.0440
19	H5    -0.5601     0.4148    -2.3069	H	1	noname	0.0639
20	H6    -0.2460    -2.9695     0.3197	H	1	noname	0.0639
21	H7    -0.8584    -1.1119    -4.2384	H	1	noname	0.0631
22	H8    -0.5443    -4.4962    -1.6117	H	1	noname	0.0631
23	H9    -1.1378    -3.9659    -5.9951	H	1	noname	0.2216
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	4	1
4	1	5	1
5	4	6	1
6	6	7	2
7	6	8	1
8	7	9	1
9	8	10	2
10	9	11	2
11	10	11	1
12	11	12	1
13	12	13	2
14	12	14	1
15	4	15	1
16	5	16	1
17	5	17	1
18	5	18	1
19	7	19	1
20	8	20	1
21	9	21	1
22	10	22	1
23	14	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1