@<TRIPOS>MOLECULE
DB02283
24 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -4.3632    -1.6037    -1.0730	S	1	noname	0.0270
2	O1    -5.6604    -2.3379    -0.5194	O.2	1	noname	-0.1606
3	O2    -4.5947    -0.0308    -1.0514	O.2	1	noname	-0.1606
4	O3    -4.0642    -2.1074    -2.6583	O.3	1	noname	-0.1454
5	C1    -2.9513    -2.0168    -0.0358	C.3	1	noname	0.0950
6	C2    -1.6631    -1.5557    -0.7207	C.3	1	noname	0.0186
7	N1    -0.5571    -1.8793     0.0918	N.3	1	noname	-0.1447
8	C3     0.5711    -1.4755    -0.5081	C.2	1	noname	-0.0360
9	C4     1.2467    -2.3339    -1.3676	C.2	1	noname	-0.0699
10	C5     1.0656    -0.1983    -0.2707	C.2	1	noname	-0.0699
11	C6     2.4170    -1.9150    -1.9898	C.2	1	noname	-0.0655
12	C7     2.2359     0.2205    -0.8930	C.2	1	noname	-0.0655
13	C8     2.9116    -0.6379    -1.7525	C.2	1	noname	-0.0930
14	H1    -4.0576    -3.0668    -2.6934	H	1	noname	0.2384
15	H2    -2.9874    -1.4256     0.8792	H	1	noname	0.0501
16	H3    -2.8454    -3.1002     0.0191	H	1	noname	0.0501
17	H4    -1.5338    -2.1416    -1.6307	H	1	noname	0.0445
18	H5    -1.6758    -0.4670    -0.7706	H	1	noname	0.0445
19	H6    -0.5712    -2.3416     0.9896	H	1	noname	0.1281
20	H7     0.8589    -3.3354    -1.5537	H	1	noname	0.0639
21	H8     0.5358     0.4747     0.4033	H	1	noname	0.0639
22	H9     2.9468    -2.5881    -2.6638	H	1	noname	0.0623
23	H10     2.6238     1.2220    -0.7069	H	1	noname	0.0623
24	H11     3.8293    -0.3094    -2.2404	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	4	1
4	1	5	1
5	5	6	1
6	6	7	1
7	7	8	1
8	8	9	2
9	8	10	1
10	9	11	1
11	10	12	2
12	11	13	2
13	12	13	1
14	4	14	1
15	5	15	1
16	5	16	1
17	6	17	1
18	6	18	1
19	7	19	1
20	9	20	1
21	10	21	1
22	11	22	1
23	12	23	1
24	13	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1