@<TRIPOS>MOLECULE
DB01729
39 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1    -0.6117    -0.8409     2.9200	P	1	noname	0.0165
2	O1    -1.0273    -2.2016     2.6975	O.2	1	noname	-0.1963
3	O2     0.8495    -0.6695     2.4649	O.3	1	noname	-0.1483
4	O3    -0.7248    -0.5082     4.4193	O.3	1	noname	-0.1643
5	O4    -1.5155     0.1102     2.1135	O.3	1	noname	-0.1643
6	C1     1.2576     0.6669     2.6833	C.3	1	noname	0.1316
7	C2     0.3428     1.6429     1.8660	C.3	1	noname	0.1315
8	C3     2.7806     0.6949     2.3914	C.3	1	noname	0.1137
9	O5    -0.7073     2.1149     2.6971	O.3	1	noname	-0.1483
10	C4     1.0908     2.8679     1.2186	C.3	1	noname	0.1125
11	O6     3.3323    -0.5913     2.6317	O.3	1	noname	-0.3873
12	C5     3.1525     1.1605     0.9421	C.3	1	noname	0.1303
13	P2    -0.1103     2.8613     3.9046	P	1	noname	0.0165
14	O7     0.2308     3.5101     0.2889	O.3	1	noname	-0.3873
15	C6     2.4478     2.5011     0.5113	C.3	1	noname	0.1124
16	O8     2.8245     0.1346     0.0166	O.3	1	noname	-0.1483
17	O9    -1.1752     3.3400     4.7474	O.2	1	noname	-0.1963
18	O10     0.7269     4.0545     3.4077	O.3	1	noname	-0.1643
19	O11     0.7884     1.9026     4.7076	O.3	1	noname	-0.1643
20	O12     3.3600     3.5807     0.6484	O.3	1	noname	-0.3873
21	P3     3.1900     0.5921    -1.4077	P	1	noname	0.0165
22	O13     2.8573    -0.4481    -2.3462	O.2	1	noname	-0.1963
23	O14     4.7000     0.8858    -1.4809	O.3	1	noname	-0.1643
24	O15     2.4014     1.8684    -1.7552	O.3	1	noname	-0.1643
25	H1    -0.7630    -1.3228     4.9259	H	1	noname	0.2283
26	H2    -2.0297     0.6514     2.7170	H	1	noname	0.2283
27	H3     1.1000     0.9289     3.7296	H	1	noname	0.0671
28	H4    -0.1420     1.0723     1.0738	H	1	noname	0.0671
29	H5     3.2519     1.3624     3.1128	H	1	noname	0.0658
30	H6     1.2871     3.6101     1.9924	H	1	noname	0.0657
31	H7     3.3963    -0.7404     3.5779	H	1	noname	0.2106
32	H8     4.2340     1.2765     0.8704	H	1	noname	0.0670
33	H9    -0.4377     4.0094     0.7636	H	1	noname	0.2106
34	H10     2.2307     2.4129    -0.5533	H	1	noname	0.0657
35	H11     1.0686     4.5415     4.1612	H	1	noname	0.2283
36	H12     0.6524     2.0477     5.6467	H	1	noname	0.2283
37	H13     3.5091     3.7572     1.5802	H	1	noname	0.2106
38	H14     5.0559     0.9551    -0.5920	H	1	noname	0.2283
39	H15     2.1301     2.3074    -0.9456	H	1	noname	0.2283
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	1	4	1
4	1	5	1
5	6	3	1
6	6	7	1
7	6	8	1
8	7	9	1
9	7	10	1
10	8	11	1
11	8	12	1
12	9	13	1
13	10	14	1
14	10	15	1
15	12	16	1
16	12	15	1
17	13	17	2
18	13	18	1
19	13	19	1
20	15	20	1
21	16	21	1
22	21	22	2
23	21	23	1
24	21	24	1
25	4	25	1
26	5	26	1
27	6	27	1
28	7	28	1
29	8	29	1
30	10	30	1
31	11	31	1
32	12	32	1
33	14	33	1
34	15	34	1
35	18	35	1
36	19	36	1
37	20	37	1
38	23	38	1
39	24	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1