@<TRIPOS>MOLECULE
DB02992
40 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1    -4.8726    -0.7324     3.5953	P	1	noname	0.0149
2	O1    -5.9530    -1.6697     3.7617	O.2	1	noname	-0.1967
3	O2    -3.8274    -1.3201     2.6291	O.3	1	noname	-0.1525
4	O3    -5.4211     0.5859     3.0183	O.3	1	noname	-0.1645
5	O4    -4.2140    -0.4605     4.9606	O.3	1	noname	-0.1645
6	C1    -2.7620    -0.3957     2.4649	C.3	1	noname	0.0911
7	C2    -1.7235    -0.9796     1.5050	C.3	1	noname	0.1069
8	O5    -2.3308    -1.2303     0.2461	O.3	1	noname	-0.3878
9	C3    -0.5756     0.0164     1.3281	C.3	1	noname	0.1107
10	O6     0.0317     0.2671     2.5870	O.3	1	noname	-0.3874
11	C4     0.4629    -0.5675     0.3682	C.3	1	noname	0.1097
12	O7     0.9686    -1.7831     0.9002	O.3	1	noname	-0.3874
13	C5     1.6108     0.4284     0.1913	C.3	1	noname	0.0951
14	O8     2.5746    -0.1135    -0.6996	O.3	1	noname	-0.3889
15	C6     2.2651     0.6986     1.5477	C.3	1	noname	0.0248
16	N1     3.3620     1.6502     1.3787	N.3	1	noname	-0.3019
17	C7     3.9873     1.9084     2.6748	C.3	1	noname	0.1041
18	P2     5.2252     2.9824     2.4841	P	1	noname	0.0209
19	O9     5.8411     3.2367     3.7607	O.2	1	noname	-0.2267
20	O10     6.2705     2.3947     1.5179	O.3	1	noname	-0.1915
21	O11     4.6768     4.3007     1.9071	O.3	1	noname	-0.1915
22	H1    -5.6653     1.1730     3.7376	H	1	noname	0.2283
23	H2    -4.0077    -1.2948     5.3882	H	1	noname	0.2283
24	H3    -3.2065     0.4790     1.9902	H	1	noname	0.0605
25	H4    -2.3003    -0.3065     3.4483	H	1	noname	0.0605
26	H5    -1.3610    -1.9474     1.8514	H	1	noname	0.0653
27	H6    -2.3982    -2.1777     0.1063	H	1	noname	0.2106
28	H7    -0.9381     0.9842     0.9817	H	1	noname	0.0657
29	H8     0.2380    -0.5673     3.0146	H	1	noname	0.2106
30	H9     0.0149    -0.8328    -0.5895	H	1	noname	0.0656
31	H10     0.9523    -1.7439     1.8593	H	1	noname	0.2106
32	H11     1.2684     1.3515    -0.2763	H	1	noname	0.0642
33	H12     3.2868    -0.5139    -0.1956	H	1	noname	0.2106
34	H13     1.5273     1.1991     2.1748	H	1	noname	0.0455
35	H14     2.7238    -0.2318     1.8826	H	1	noname	0.0455
36	H15     3.6442     2.0652     0.5022	H	1	noname	0.1231
37	H16     3.2039     2.3772     3.2703	H	1	noname	0.0583
38	H17     4.4003     0.9463     2.9781	H	1	noname	0.0583
39	H18     6.9827     1.9943     2.0219	H	1	noname	0.2260
40	H19     4.4325     4.8877     2.6264	H	1	noname	0.2260
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	1	4	1
4	1	5	1
5	3	6	1
6	6	7	1
7	7	8	1
8	7	9	1
9	9	10	1
10	9	11	1
11	11	12	1
12	11	13	1
13	13	14	1
14	13	15	1
15	15	16	1
16	16	17	1
17	17	18	1
18	18	19	2
19	18	20	1
20	18	21	1
21	4	22	1
22	5	23	1
23	6	24	1
24	6	25	1
25	7	26	1
26	8	27	1
27	9	28	1
28	10	29	1
29	11	30	1
30	12	31	1
31	13	32	1
32	14	33	1
33	15	34	1
34	15	35	1
35	16	36	1
36	17	37	1
37	17	38	1
38	20	39	1
39	21	40	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1