@<TRIPOS>MOLECULE
DB02127
28 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1    -0.4012    -0.1237     0.1123	P	1	noname	0.0241
2	O1     0.8881     0.3612    -0.3074	O.2	1	noname	-0.2285
3	O2    -0.8787    -1.2193    -0.8590	O.3	1	noname	-0.1811
4	O3    -1.4117     1.0384     0.1120	O.3	1	noname	-0.1811
5	C1    -0.2843    -0.7506     1.6341	C.3	1	noname	0.0439
6	C2    -0.9792    -0.6798    -2.1686	C.3	1	noname	0.0655
7	C3    -0.9715     2.0486     1.0076	C.3	1	noname	0.0655
8	C4    -1.4536    -1.7683    -3.1336	C.3	1	noname	-0.0380
9	C5     0.3907    -0.1646    -2.6146	C.3	1	noname	-0.0380
10	C6    -1.9754     3.2032     1.0073	C.3	1	noname	-0.0380
11	C7     0.3984     2.5638     0.5616	C.3	1	noname	-0.0380
12	H1    -0.2885    -1.8393     1.5799	H	1	noname	0.0381
13	H2     0.6437    -0.4134     2.0957	H	1	noname	0.0381
14	H3    -1.1310    -0.4134     2.2320	H	1	noname	0.0381
15	H4    -1.7046     0.1304    -2.0950	H	1	noname	0.0606
16	H5    -0.9174     1.5684     1.9846	H	1	noname	0.0606
17	H6    -1.8251    -2.6210    -2.5652	H	1	noname	0.0257
18	H7    -2.2526    -1.3742    -3.7615	H	1	noname	0.0257
19	H8    -0.6209    -2.0853    -3.7615	H	1	noname	0.0257
20	H9     0.9963     0.0632    -1.7374	H	1	noname	0.0257
21	H10     0.8891    -0.9280    -3.2120	H	1	noname	0.0257
22	H11     0.2625     0.7380    -3.2120	H	1	noname	0.0257
23	H12    -2.2139     3.4775     2.0349	H	1	noname	0.0257
24	H13    -1.5421     4.0613     0.4934	H	1	noname	0.0257
25	H14    -2.8853     2.8933     0.4934	H	1	noname	0.0257
26	H15     1.0041     2.7916     1.4388	H	1	noname	0.0257
27	H16     0.8969     1.8004    -0.0358	H	1	noname	0.0257
28	H17     0.2703     3.4665    -0.0358	H	1	noname	0.0257
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	1	4	1
4	1	5	1
5	3	6	1
6	4	7	1
7	6	8	1
8	6	9	1
9	7	10	1
10	7	11	1
11	5	12	1
12	5	13	1
13	5	14	1
14	6	15	1
15	7	16	1
16	8	17	1
17	8	18	1
18	8	19	1
19	9	20	1
20	9	21	1
21	9	22	1
22	10	23	1
23	10	24	1
24	10	25	1
25	11	26	1
26	11	27	1
27	11	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1