@<TRIPOS>MOLECULE
DB02514
21 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1    -3.6678    -2.3078    -0.9622	P	1	noname	0.2239
2	O1    -4.2785    -1.0843    -1.4134	O.2	1	noname	-0.1444
3	O2    -4.4728    -3.4864    -0.7711	O.2	1	noname	-0.1444
4	O3    -2.1372    -2.3564    -0.6809	O.3	1	noname	-0.0947
5	C1    -1.6566    -1.5035     0.2572	C.2	1	noname	0.0263
6	C2    -1.7262    -1.4298     1.6140	C.2	1	noname	-0.0160
7	C3    -0.9473    -0.4466     2.2995	C.2	1	noname	-0.0409
8	C4    -2.4943    -2.3476     2.3284	C.2	1	noname	-0.0293
9	C5     0.3709    -0.0666     1.8364	C.2	1	noname	-0.0448
10	C6    -1.4616     0.1307     3.5207	C.2	1	noname	-0.0448
11	O4    -3.6569    -2.6503     1.9933	O.2	1	noname	-0.4618
12	O5    -2.0212    -2.8744     3.4793	O.3	1	noname	-0.4618
13	C7     1.1787     0.8188     2.6148	C.2	1	noname	-0.0564
14	C8    -0.6646     1.0139     4.3014	C.2	1	noname	-0.0564
15	C9     0.6529     1.3337     3.8424	C.2	1	noname	-0.0568
16	H1    -1.0809    -0.6882    -0.1808	H	1	noname	0.0900
17	H2     0.7588    -0.4508     0.8930	H	1	noname	0.0628
18	H3    -2.4705    -0.1047     3.8597	H	1	noname	0.0628
19	H4     2.1776     1.0963     2.2782	H	1	noname	0.0622
20	H5    -1.0539     1.4353     5.2282	H	1	noname	0.0622
21	H6     1.2766     1.9912     4.4480	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	4	1
4	4	5	1
5	5	6	2
6	6	7	1
7	6	8	1
8	7	9	2
9	7	10	1
10	8	11	2
11	8	12	1
12	9	13	1
13	10	14	2
14	13	15	2
15	14	15	1
16	5	16	1
17	9	17	1
18	10	18	1
19	13	19	1
20	14	20	1
21	15	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1