@<TRIPOS>MOLECULE
DB02642
28 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1    -5.5423     0.2752    -2.5282	P	1	noname	0.0211
2	O1    -5.6564     1.6572    -2.9164	O.2	1	noname	-0.2266
3	O2    -5.5832    -0.6158    -3.7836	O.3	1	noname	-0.1915
4	O3    -6.7124    -0.0948    -1.5977	O.3	1	noname	-0.1915
5	C1    -4.1142     0.0428    -1.7351	C.3	1	noname	0.1122
6	N1    -4.0026    -1.3104    -1.3549	N.3	1	noname	-0.0285
7	C2    -2.9166    -1.7330    -0.6933	C.2	1	noname	0.0516
8	O4    -2.8176    -2.9326    -0.3562	O.2	1	noname	-0.2523
9	O5    -1.9296    -0.8632    -0.3907	O.3	1	noname	-0.1972
10	C3    -0.7788    -1.3110     0.3105	C.3	1	noname	0.0828
11	C4     0.1337    -0.1898     0.5147	C.2	1	noname	-0.0434
12	C5     1.1086     0.0946    -0.4345	C.2	1	noname	-0.0497
13	C6     0.0276     0.5933     1.6582	C.2	1	noname	-0.0497
14	C7     1.9773     1.1621    -0.2401	C.2	1	noname	-0.0585
15	C8     0.8964     1.6608     1.8525	C.2	1	noname	-0.0585
16	C9     1.8712     1.9452     0.9034	C.2	1	noname	-0.0611
17	H1    -5.5747    -1.5391    -3.5211	H	1	noname	0.2260
18	H2    -6.4341    -0.0068    -0.6832	H	1	noname	0.2260
19	H3    -3.2868     0.1909    -2.4290	H	1	noname	0.0588
20	H4    -4.1344     0.5820    -0.7880	H	1	noname	0.0588
21	H5    -4.7175    -1.9933    -1.5615	H	1	noname	0.1343
22	H6    -1.1246    -1.6297     1.2939	H	1	noname	0.0625
23	H7    -0.2769    -2.0208    -0.3471	H	1	noname	0.0625
24	H8     1.1918    -0.5194    -1.3312	H	1	noname	0.0626
25	H9    -0.7369     0.3703     2.4024	H	1	noname	0.0626
26	H10     2.7418     1.3852    -0.9844	H	1	noname	0.0622
27	H11     0.8132     2.2749     2.7492	H	1	noname	0.0622
28	H12     2.5525     2.7824     1.0558	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	1	4	1
4	1	5	1
5	5	6	1
6	6	7	1
7	7	8	2
8	7	9	1
9	9	10	1
10	10	11	1
11	11	12	2
12	11	13	1
13	12	14	1
14	13	15	2
15	14	16	2
16	15	16	1
17	3	17	1
18	4	18	1
19	5	19	1
20	5	20	1
21	6	21	1
22	10	22	1
23	10	23	1
24	12	24	1
25	13	25	1
26	14	26	1
27	15	27	1
28	16	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1