@<TRIPOS>MOLECULE
DB04328
27 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1    -0.8162     1.1980    -3.3725	P	1	noname	0.0169
2	O1    -1.3286     1.4872    -4.6868	O.2	1	noname	-0.1962
3	O2    -1.4935     2.1212    -2.3428	O.3	1	noname	-0.1473
4	O3     0.7054     1.4345    -3.3513	O.3	1	noname	-0.1642
5	O4    -1.1123    -0.2711    -3.0179	O.3	1	noname	-0.1642
6	C1    -0.9882     1.8361    -1.0467	C.3	1	noname	0.1206
7	C2    -1.2692     0.4421    -0.7102	C.2	1	noname	-0.0015
8	C3    -1.6290     2.8127    -0.0120	C.3	1	noname	0.1110
9	C4    -1.6048     0.0123     0.5254	C.2	1	noname	0.0657
10	O5    -3.0245     2.9115    -0.2557	O.3	1	noname	-0.3872
11	C5    -1.3875     2.3542     1.4718	C.3	1	noname	0.0871
12	C6    -1.8112    -1.3228     0.6826	C.2	1	noname	0.0956
13	C7    -1.7663     0.8573     1.7114	C.3	1	noname	0.0068
14	O6    -0.0246     2.5582     1.8143	O.3	1	noname	-0.3898
15	O7    -2.2408    -2.0055    -0.2722	O.2	1	noname	-0.2605
16	O8    -1.5520    -1.9106     1.8700	O.3	1	noname	-0.2198
17	H1     1.0093     1.4818    -2.4419	H	1	noname	0.2283
18	H2    -1.1326    -0.3720    -2.0634	H	1	noname	0.2283
19	H3     0.0957     1.9364    -1.1038	H	1	noname	0.0688
20	H4    -1.2239    -0.3544    -1.4530	H	1	noname	0.0609
21	H5    -1.2423     3.8199    -0.1669	H	1	noname	0.0659
22	H6    -3.4939     2.9447     0.5811	H	1	noname	0.2107
23	H7    -1.9512     2.9879     2.1566	H	1	noname	0.0632
24	H8    -2.8344     0.8280     1.9270	H	1	noname	0.0345
25	H9    -1.0535     0.4582     2.4330	H	1	noname	0.0345
26	H10     0.0667     2.5718     2.7699	H	1	noname	0.2105
27	H11    -1.5746    -2.8647     1.7664	H	1	noname	0.2216
@<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	2
9	8	10	1
10	8	11	1
11	9	12	1
12	9	13	1
13	11	14	1
14	11	13	1
15	12	15	2
16	12	16	1
17	4	17	1
18	5	18	1
19	6	19	1
20	7	20	1
21	8	21	1
22	10	22	1
23	11	23	1
24	13	24	1
25	13	25	1
26	14	26	1
27	16	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1