@<TRIPOS>MOLECULE
DB02151
22 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.5397    -1.0792     0.5979	S.3	1	noname	-0.1652
2	C1     1.2448    -0.4009    -0.4525	C.3	1	noname	-0.0047
3	C2     3.5636    -2.2052    -0.3632	C.3	1	noname	-0.0184
4	C3     0.3745     0.5562     0.3645	C.3	1	noname	-0.0154
5	C4    -0.7261     1.1327    -0.5283	C.3	1	noname	0.1134
6	P1    -1.6647     2.1649     0.3528	P	1	noname	0.0223
7	N1    -0.1192     1.8575    -1.6436	N.3	1	noname	-0.3161
8	O1    -2.7006     2.7075    -0.4875	O.2	1	noname	-0.2258
9	O2    -2.3039     1.4014     1.5275	O.3	1	noname	-0.1909
10	O3    -0.7936     3.3114     0.8989	O.3	1	noname	-0.1909
11	H1     1.6922     0.2375    -1.2143	H	1	noname	0.0381
12	H2     0.5583    -1.1964    -0.7424	H	1	noname	0.0381
13	H3     4.1394    -2.8385     0.3116	H	1	noname	0.0343
14	H4     2.9272    -2.8283    -0.9917	H	1	noname	0.0343
15	H5     4.2441    -1.6308    -0.9917	H	1	noname	0.0343
16	H6    -0.1214    -0.0434     1.1279	H	1	noname	0.0299
17	H7     1.0125     1.3905     0.6560	H	1	noname	0.0299
18	H8    -1.2651     0.3054    -0.9899	H	1	noname	0.0618
19	H9    -0.6779     2.1078    -2.4469	H	1	noname	0.1194
20	H10     0.8587     2.1078    -1.6107	H	1	noname	0.1194
21	H11    -2.2223     0.4568     1.3775	H	1	noname	0.2260
22	H12    -0.8067     3.2940     1.8587	H	1	noname	0.2260
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	4	5	1
5	5	6	1
6	5	7	1
7	6	8	2
8	6	9	1
9	6	10	1
10	2	11	1
11	2	12	1
12	3	13	1
13	3	14	1
14	3	15	1
15	4	16	1
16	4	17	1
17	5	18	1
18	7	19	1
19	7	20	1
20	9	21	1
21	10	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1