@<TRIPOS>MOLECULE
DB02569
38 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1    -3.2313    -5.8651     0.2809	P	1	noname	0.0669
2	O1    -3.7054    -6.6931     1.3594	O.2	1	noname	-0.1856
3	O2    -1.8692    -6.3905    -0.2092	O.3	1	noname	-0.0280
4	O3    -4.2438    -5.9034    -0.8789	O.3	1	noname	-0.1454
5	O4    -3.0741    -4.4158     0.7773	O.3	1	noname	-0.1575
6	P2    -0.8568    -6.3521     0.9505	P	1	noname	0.0623
7	C1    -3.7764    -5.0869    -1.9425	C.3	1	noname	0.0924
8	O5     0.4169    -6.8435     0.4922	O.2	1	noname	-0.1871
9	O6    -0.6995    -4.9029     1.4469	O.3	1	noname	-0.1585
10	O7    -1.3637    -7.2377     2.1040	O.3	1	noname	-0.1585
11	C2    -4.7823    -5.1250    -3.0947	C.3	1	noname	0.1026
12	O8    -6.0609    -4.6318    -2.6346	O.3	1	noname	-0.3488
13	C3    -4.4037    -4.1719    -4.0889	C.2	1	noname	-0.0493
14	C4    -6.6051    -3.9837    -3.8066	C.3	1	noname	0.1418
15	C5    -5.4560    -3.4574    -4.4726	C.2	1	noname	-0.0458
16	N1    -7.7728    -3.1380    -3.7542	N.3	1	noname	0.0377
17	C6    -8.0439    -2.2110    -2.7505	C.2	1	noname	0.0306
18	C7    -8.6759    -3.3416    -4.7884	C.2	1	noname	-0.0367
19	O9    -7.2407    -2.0147    -1.8130	O.2	1	noname	-0.2796
20	N2    -9.2370    -1.5166    -2.8323	N.3	1	noname	0.0799
21	C8    -9.9062    -2.6260    -4.8997	C.2	1	noname	0.0439
22	C9   -10.1426    -1.6888    -3.8592	C.2	1	noname	0.0638
23	C10   -10.8463    -2.8405    -5.9959	C.3	1	noname	-0.0339
24	O10   -11.1905    -1.0074    -3.8738	O.2	1	noname	-0.2887
25	H1    -3.0728    -4.4047     1.7372	H	1	noname	0.2283
26	H2    -3.7578    -4.0726    -1.5438	H	1	noname	0.0607
27	H3    -2.8534    -5.5550    -2.2844	H	1	noname	0.0607
28	H4    -0.6983    -4.8917     2.4069	H	1	noname	0.2283
29	H5    -1.2596    -8.1622     1.8672	H	1	noname	0.2283
30	H6    -4.8539    -6.1291    -3.5128	H	1	noname	0.0674
31	H7    -3.4127    -4.0068    -4.5117	H	1	noname	0.0602
32	H8    -7.1482    -4.7321    -4.3837	H	1	noname	0.0835
33	H9    -5.3912    -2.6267    -5.1754	H	1	noname	0.0615
34	H10    -8.4103    -4.0876    -5.5375	H	1	noname	0.0762
35	H11    -9.4578    -0.8505    -2.1059	H	1	noname	0.1418
36	H12   -10.9820    -3.9104    -6.1541	H	1	noname	0.0282
37	H13   -11.8050    -2.3856    -5.7467	H	1	noname	0.0282
38	H14   -10.4539    -2.3856    -6.9054	H	1	noname	0.0282
@<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	2
8	6	9	1
9	6	10	1
10	11	7	1
11	11	12	1
12	11	13	1
13	12	14	1
14	13	15	2
15	14	16	1
16	14	15	1
17	16	17	1
18	16	18	1
19	17	19	2
20	17	20	1
21	18	21	2
22	20	22	1
23	21	23	1
24	21	22	1
25	22	24	2
26	5	25	1
27	7	26	1
28	7	27	1
29	9	28	1
30	10	29	1
31	11	30	1
32	13	31	1
33	14	32	1
34	15	33	1
35	18	34	1
36	20	35	1
37	23	36	1
38	23	37	1
39	23	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1