@<TRIPOS>MOLECULE
DB04015
21 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.2943    -1.4464     0.4483	S.3	1	noname	-0.1652
2	C1     1.3249    -0.3128    -0.5594	C.3	1	noname	-0.0048
3	C2     3.7600    -1.9564    -0.4637	C.3	1	noname	-0.0184
4	C3     0.0791     0.1207     0.2158	C.3	1	noname	-0.0179
5	C4    -0.7449     1.0842    -0.6407	C.3	1	noname	0.0858
6	P1    -2.0884     1.5517     0.1954	P	1	noname	0.0205
7	N1     0.0615     2.2600    -0.9642	N.3	1	noname	-0.3182
8	O1    -3.0280     2.4638    -0.4037	O.2	1	noname	-0.2634
9	O2    -2.3374     1.0127     1.6163	O.3	1	noname	-0.2221
10	H1     1.8810     0.6139    -0.7009	H	1	noname	0.0381
11	H2     0.9245    -0.8453    -1.4221	H	1	noname	0.0381
12	H3     4.5476    -2.2305     0.2382	H	1	noname	0.0343
13	H4     3.5174    -2.8143    -1.0908	H	1	noname	0.0343
14	H5     4.1025    -1.1333    -1.0908	H	1	noname	0.0343
15	H6    -0.5293    -0.7724     0.3586	H	1	noname	0.0298
16	H7     0.4273     0.6868     1.0798	H	1	noname	0.0298
17	H8    -0.9459     0.6077    -1.6001	H	1	noname	0.0590
18	H9    -3.2457     2.2582     0.3010	H	1	noname	0.1437
19	H10     1.0613     2.1715    -1.0760	H	1	noname	0.1193
20	H11    -0.3814     3.1609    -1.0760	H	1	noname	0.1193
21	H12    -2.3345     0.0529     1.5995	H	1	noname	0.2235
@<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	2	10	1
10	2	11	1
11	3	12	1
12	3	13	1
13	3	14	1
14	4	15	1
15	4	16	1
16	5	17	1
17	6	18	1
18	7	19	1
19	7	20	1
20	9	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1