@<TRIPOS>MOLECULE
DB02270
28 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     0.2334     0.3012     0.7744	S.3	1	noname	0.0487
2	P1     1.6912    -0.2935    -0.3245	P	1	noname	0.0538
3	C1    -0.6480     1.6277    -0.0644	C.3	1	noname	0.0073
4	O1     2.3963    -1.3547     0.3466	O.2	1	noname	-0.2119
5	O2     2.6538     0.8811    -0.5800	O.3	1	noname	-0.0399
6	O3     1.1438    -0.8102    -1.6680	O.3	1	noname	-0.1792
7	C2    -1.8097     2.1016     0.8112	C.3	1	noname	-0.0410
8	P2     3.8231     0.4041    -1.4614	P	1	noname	0.0547
9	C3    -2.5588     3.2291     0.0983	C.3	1	noname	-0.0463
10	O4     4.7232     1.5024    -1.7004	O.2	1	noname	-0.1884
11	O5     3.2757    -0.1126    -2.8049	O.3	1	noname	-0.1593
12	O6     4.5772    -0.7308    -0.7438	O.3	1	noname	-0.1593
13	C4    -3.7205     3.7030     0.9739	C.3	1	noname	-0.0627
14	C5    -3.1027     2.7158    -1.2365	C.3	1	noname	-0.0627
15	H1    -0.0022     2.5027    -0.1389	H	1	noname	0.0388
16	H2    -1.1358     1.2330    -0.9556	H	1	noname	0.0388
17	H3     1.1447    -1.7702    -1.6659	H	1	noname	0.2268
18	H4    -2.5037     1.2651     0.8930	H	1	noname	0.0278
19	H5    -1.3701     2.5348     1.7097	H	1	noname	0.0278
20	H6    -1.8775     4.0605    -0.0826	H	1	noname	0.0297
21	H7     3.2766    -1.0726    -2.8028	H	1	noname	0.2283
22	H8     4.5005    -0.6153     0.2062	H	1	noname	0.2283
23	H9    -3.4518     3.5934     2.0246	H	1	noname	0.0233
24	H10    -3.9325     4.7507     0.7605	H	1	noname	0.0233
25	H11    -4.6049     3.1026     0.7605	H	1	noname	0.0233
26	H12    -3.1017     1.6258    -1.2342	H	1	noname	0.0233
27	H13    -4.1211     3.0779    -1.3773	H	1	noname	0.0233
28	H14    -2.4727     3.0779    -2.0490	H	1	noname	0.0233
@<TRIPOS>BOND
1	2	1	1
2	1	3	1
3	2	4	2
4	2	5	1
5	2	6	1
6	3	7	1
7	5	8	1
8	7	9	1
9	8	10	2
10	8	11	1
11	8	12	1
12	9	13	1
13	9	14	1
14	3	15	1
15	3	16	1
16	6	17	1
17	7	18	1
18	7	19	1
19	9	20	1
20	11	21	1
21	12	22	1
22	13	23	1
23	13	24	1
24	13	25	1
25	14	26	1
26	14	27	1
27	14	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1