@<TRIPOS>MOLECULE
DB02604
28 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1    -1.3302    -1.4224    -3.2283	P	1	noname	0.0149
2	O1    -0.9727    -2.6736    -3.8449	O.2	1	noname	-0.1967
3	O2    -0.6545    -1.3186    -1.8484	O.3	1	noname	-0.1525
4	O3    -0.8592    -0.2580    -4.1194	O.3	1	noname	-0.1645
5	O4    -2.8591    -1.3524    -3.0578	O.3	1	noname	-0.1645
6	C1    -1.0070    -0.0847    -1.2404	C.3	1	noname	0.0915
7	C2    -0.3322     0.0190     0.1378	C.3	1	noname	0.1134
8	O5     1.1124    -0.0483    -0.0368	O.3	1	noname	-0.3442
9	C3    -0.9071     1.2835     0.8433	C.3	1	noname	0.1087
10	C4     1.9737     0.6095     0.9430	C.3	1	noname	0.1574
11	O6    -1.2285     0.9691     2.1902	O.3	1	noname	-0.3875
12	C5     0.1058     2.4591     0.8140	C.3	1	noname	0.0874
13	O7     3.3213     0.5588     0.4982	O.3	1	noname	-0.3678
14	C6     1.5630     2.0947     1.1902	C.3	1	noname	0.0269
15	O8     0.0863     3.0688    -0.4683	O.3	1	noname	-0.3900
16	H1    -0.5650     0.4695    -3.5663	H	1	noname	0.2283
17	H2    -3.0767    -1.3425    -2.1229	H	1	noname	0.2283
18	H3    -0.5836     0.6862    -1.8842	H	1	noname	0.0605
19	H4    -2.0850    -0.1354    -1.0873	H	1	noname	0.0605
20	H5    -0.4842    -0.8342     0.7989	H	1	noname	0.0657
21	H6    -1.8504     1.5840     0.3873	H	1	noname	0.0656
22	H7     1.9154     0.0101     1.8515	H	1	noname	0.0920
23	H8    -1.2544     0.0156     2.2989	H	1	noname	0.2106
24	H9    -0.2380     3.2118     1.5234	H	1	noname	0.0630
25	H10     3.9083     0.5367     1.2575	H	1	noname	0.2133
26	H11     1.6264     2.2407     2.2685	H	1	noname	0.0346
27	H12     2.1887     2.6868     0.5223	H	1	noname	0.0346
28	H13     0.0760     2.3888    -1.1459	H	1	noname	0.2105
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	1	4	1
4	1	5	1
5	3	6	1
6	7	6	1
7	7	8	1
8	7	9	1
9	8	10	1
10	9	11	1
11	9	12	1
12	10	13	1
13	10	14	1
14	12	15	1
15	12	14	1
16	4	16	1
17	5	17	1
18	6	18	1
19	6	19	1
20	7	20	1
21	9	21	1
22	10	22	1
23	11	23	1
24	12	24	1
25	13	25	1
26	14	26	1
27	14	27	1
28	15	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1