@<TRIPOS>MOLECULE
DB02461
22 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.6701     0.1559     0.4031	S.3	1	noname	-0.1448
2	C1     2.5510    -1.3918     0.1412	C.3	1	noname	0.1007
3	C2    -0.0022     0.0119    -0.2471	C.3	1	noname	0.0190
4	P1     4.0839    -1.2598     0.7373	P	1	noname	0.0189
5	C3    -0.7509     1.3274    -0.0246	C.3	1	noname	0.1004
6	O1     4.7887    -2.4980     0.5278	O.2	1	noname	-0.2279
7	O2     4.8212    -0.1201     0.0098	O.3	1	noname	-0.1925
8	O3     4.0237    -0.9522     2.2450	O.3	1	noname	-0.1925
9	N1    -2.1092     1.2105    -0.5527	N.3	1	noname	-0.3187
10	C4    -0.0520     2.4079    -0.7142	C.2	1	noname	0.1441
11	O4     0.3855     3.3831    -0.0661	O.2	1	noname	-0.2494
12	O5     0.1217     2.3538    -2.0519	O.3	1	noname	-0.2138
13	H1     2.0736    -2.1629     0.7459	H	1	noname	0.0533
14	H2     2.6723    -1.5382    -0.9321	H	1	noname	0.0533
15	H3     0.0371    -0.0868    -1.3320	H	1	noname	0.0402
16	H4    -0.5616    -0.7115     0.3461	H	1	noname	0.0402
17	H5    -0.8166     1.5857     1.0323	H	1	noname	0.0580
18	H6     5.2066     0.4757     0.6564	H	1	noname	0.2259
19	H7     4.0040    -1.7751     2.7390	H	1	noname	0.2259
20	H8    -2.6534     2.0415    -0.7351	H	1	noname	0.1192
21	H9    -2.5033     0.2986    -0.7351	H	1	noname	0.1192
22	H10     0.1582     1.4367    -2.3330	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	3	5	1
5	4	6	2
6	4	7	1
7	4	8	1
8	5	9	1
9	5	10	1
10	10	11	2
11	10	12	1
12	2	13	1
13	2	14	1
14	3	15	1
15	3	16	1
16	5	17	1
17	7	18	1
18	8	19	1
19	9	20	1
20	9	21	1
21	12	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1