@<TRIPOS>MOLECULE
DB01961
35 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1     0.4891    -3.8810    -2.6761	P	1	noname	0.0165
2	O1     0.3250    -4.2135    -4.0675	O.2	1	noname	-0.1963
3	O2    -0.2805    -2.5841    -2.3640	O.3	1	noname	-0.1482
4	O3     1.9845    -3.6769    -2.3700	O.3	1	noname	-0.1643
5	O4    -0.0612    -5.0265    -1.8062	O.3	1	noname	-0.1643
6	C1    -0.1186    -2.2562    -0.9919	C.3	1	noname	0.1315
7	C2    -0.8724    -0.9860    -0.6862	C.3	1	noname	0.1243
8	C3    -0.8446    -3.3024    -0.1248	C.3	1	noname	0.1127
9	O5    -0.8936    -0.1589    -1.8402	O.3	1	noname	-0.3860
10	C4    -2.2611    -1.5629    -0.4498	C.3	1	noname	0.1503
11	O6    -2.0538    -2.7300     0.3707	O.3	1	noname	-0.3509
12	C5     0.0504    -3.7003     1.0506	C.3	1	noname	0.0722
13	N1    -3.1767    -0.5842     0.0757	N.3	1	noname	0.0201
14	O7    -0.6187    -4.6646     1.8498	O.3	1	noname	-0.3934
15	C6    -3.3186    -0.3500     1.4340	C.2	1	noname	-0.0062
16	C7    -3.8787     0.1767    -0.8503	C.2	1	noname	-0.0556
17	O8    -2.6473    -1.0909     2.3412	O.3	1	noname	-0.2484
18	N2    -4.1589     0.6538     1.8279	N.2	1	noname	-0.1753
19	C8    -4.7572     1.2390    -0.4825	C.2	1	noname	0.0177
20	C9    -4.8522     1.4238     0.9317	C.2	1	noname	0.0498
21	N3    -5.6319     2.3653     1.3883	N.2	1	noname	-0.2366
22	H1     2.1170    -3.6588    -1.4194	H	1	noname	0.2283
23	H2     0.0458    -4.8037    -0.8786	H	1	noname	0.2283
24	H3     0.9613    -2.1879    -0.8607	H	1	noname	0.0671
25	H4    -0.4571    -0.3407     0.0879	H	1	noname	0.0671
26	H5    -1.1402    -4.1786    -0.7018	H	1	noname	0.0657
27	H6    -0.9081    -0.7081    -2.6274	H	1	noname	0.2107
28	H7    -2.8071    -1.8746    -1.3401	H	1	noname	0.0816
29	H8     0.9260    -4.2114     0.6503	H	1	noname	0.0591
30	H9     0.1744    -2.8272     1.6912	H	1	noname	0.0591
31	H10    -0.4791    -4.4634     2.7780	H	1	noname	0.2101
32	H11    -3.7350    -0.0686    -1.9026	H	1	noname	0.0758
33	H12    -2.8966    -0.8158     3.2265	H	1	noname	0.2209
34	H13    -5.2996     1.8466    -1.2069	H	1	noname	0.0672
35	H14    -5.6206     2.3517     2.3981	H	1	noname	0.1893
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	1	4	1
4	1	5	1
5	6	3	1
6	6	7	1
7	6	8	1
8	7	9	1
9	7	10	1
10	8	11	1
11	8	12	1
12	10	13	1
13	10	11	1
14	12	14	1
15	13	15	1
16	13	16	1
17	15	17	1
18	15	18	2
19	16	19	2
20	18	20	1
21	19	20	1
22	20	21	2
23	4	22	1
24	5	23	1
25	6	24	1
26	7	25	1
27	8	26	1
28	9	27	1
29	10	28	1
30	12	29	1
31	12	30	1
32	14	31	1
33	16	32	1
34	17	33	1
35	19	34	1
36	21	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1