@<TRIPOS>MOLECULE
DB04663
28 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1    -2.7040    -3.3362     0.4266	P	1	noname	0.0149
2	O1    -3.5719    -3.8150     1.4711	O.2	1	noname	-0.1967
3	O2    -1.9704    -2.0708     0.9085	O.3	1	noname	-0.1525
4	O3    -1.6730    -4.4253     0.0764	O.3	1	noname	-0.1645
5	O4    -3.5403    -3.0005    -0.8222	O.3	1	noname	-0.1645
6	C1    -1.1145    -1.5987    -0.1215	C.3	1	noname	0.0915
7	C2    -0.3840    -0.3387     0.3584	C.3	1	noname	0.1146
8	O5     0.4066    -0.5902     1.5130	O.3	1	noname	-0.3310
9	C3     0.6157     0.1755    -0.6721	C.3	1	noname	0.1144
10	C4     1.1453     0.6241     1.6188	C.3	1	noname	0.2842
11	O6    -0.0561     1.0003    -1.6128	O.3	1	noname	-0.3873
12	C5     1.5315     1.0383     0.2010	C.3	1	noname	0.1465
13	O7     0.3252     1.6280     2.1984	O.3	1	noname	-0.3555
14	C6     2.3114     0.4830     2.4859	C.2	1	noname	0.1676
15	O8     1.2171     2.4093     0.0062	O.3	1	noname	-0.3839
16	O9     2.1640     0.1552     3.6831	O.2	1	noname	-0.2326
17	O10     3.5488     0.7066     1.9946	O.3	1	noname	-0.2007
18	H1    -1.3173    -4.8011     0.8850	H	1	noname	0.2283
19	H2    -3.8239    -3.8140    -1.2456	H	1	noname	0.2283
20	H3    -0.3735    -2.3849    -0.2661	H	1	noname	0.0605
21	H4    -1.7754    -1.3153    -0.9406	H	1	noname	0.0605
22	H5    -1.1552     0.3868     0.6173	H	1	noname	0.0657
23	H6     1.1015    -0.5787    -1.2912	H	1	noname	0.0658
24	H7    -0.5862     1.6510    -1.1467	H	1	noname	0.2106
25	H8     2.5951     0.9765    -0.0292	H	1	noname	0.0692
26	H9     0.3741     1.5681     3.1553	H	1	noname	0.2142
27	H10     1.1184     2.8393     0.8589	H	1	noname	0.2108
28	H11     4.1662     0.8181     2.7212	H	1	noname	0.2215
@<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	10	12	1
15	12	15	1
16	14	16	2
17	14	17	1
18	4	18	1
19	5	19	1
20	6	20	1
21	6	21	1
22	7	22	1
23	9	23	1
24	11	24	1
25	12	25	1
26	13	26	1
27	15	27	1
28	17	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1