@<TRIPOS>MOLECULE
DB02038
38 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1     0.0019    -1.8343    -3.9412	P	1	noname	0.0155
2	O1     0.6297    -1.2636    -5.1047	O.2	1	noname	-0.1965
3	O2     0.1213    -0.8533    -2.7602	O.3	1	noname	-0.1511
4	O3     0.6983    -3.1596    -3.5802	O.3	1	noname	-0.1644
5	O4    -1.4854    -2.1005    -4.2391	O.3	1	noname	-0.1644
6	C1    -0.4979    -1.4161    -1.6129	C.3	1	noname	0.0894
7	C2    -0.3847    -0.4860    -0.4932	C.2	1	noname	-0.0044
8	C3     0.7343    -0.5235     0.4012	C.2	1	noname	0.0076
9	C4    -1.3794     0.4974    -0.2411	C.2	1	noname	-0.0060
10	C5     0.8940     0.3548     1.5221	C.2	1	noname	0.0324
11	C6     1.7592    -1.5519     0.1817	C.3	1	noname	0.0244
12	N1    -1.1846     1.3323     0.8449	N.2	1	noname	-0.2528
13	O5     1.9644     0.2670     2.3400	O.3	1	noname	-0.2763
14	C7    -0.1266     1.3238     1.7344	C.2	1	noname	0.0275
15	N2     2.7550    -1.1228    -0.8131	N.3	1	noname	-0.3000
16	C8    -0.0589     2.2690     2.8450	C.3	1	noname	0.0427
17	C9     3.8722    -2.0855    -0.8364	C.3	1	noname	0.1094
18	C10     4.4349    -2.2837    -2.2332	C.2	1	noname	0.0942
19	C11     5.1418    -1.5071    -0.2083	C.3	1	noname	0.0927
20	O6     4.3740    -3.2628    -3.0079	O.2	1	noname	-0.2753
21	N3     5.0696    -0.9766    -2.3925	N.3	1	noname	0.0230
22	O7     5.6060    -0.5954    -1.1917	O.3	1	noname	-0.3057
23	H1     0.7443    -3.2471    -2.6253	H	1	noname	0.2283
24	H2    -1.9668    -2.1867    -3.4130	H	1	noname	0.2283
25	H3    -1.5575    -1.5078    -1.8512	H	1	noname	0.0629
26	H4     0.0818    -2.3028    -1.3565	H	1	noname	0.0629
27	H5    -2.2672     0.6083    -0.8637	H	1	noname	0.0843
28	H6     2.2940    -1.6565     1.1257	H	1	noname	0.0480
29	H7     1.2436    -2.4095    -0.2506	H	1	noname	0.0480
30	H8     1.6716     0.2910     3.2539	H	1	noname	0.2182
31	H9     2.6829    -0.2968    -1.3897	H	1	noname	0.1233
32	H10    -0.0015     1.7211     3.7855	H	1	noname	0.0296
33	H11     0.8261     2.8959     2.7351	H	1	noname	0.0296
34	H12    -0.9506     2.8959     2.8435	H	1	noname	0.0296
35	H13     3.4120    -2.9495    -0.3570	H	1	noname	0.0588
36	H14     4.8715    -0.9183     0.6683	H	1	noname	0.0609
37	H15     5.8913    -2.2943    -0.1260	H	1	noname	0.0609
38	H16     5.1298    -0.4093    -3.2259	H	1	noname	0.1644
@<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	2
8	7	9	1
9	8	10	1
10	8	11	1
11	9	12	2
12	10	13	1
13	10	14	2
14	11	15	1
15	12	14	1
16	14	16	1
17	17	15	1
18	17	18	1
19	17	19	1
20	18	20	2
21	18	21	1
22	19	22	1
23	21	22	1
24	4	23	1
25	5	24	1
26	6	25	1
27	6	26	1
28	9	27	1
29	11	28	1
30	11	29	1
31	13	30	1
32	15	31	1
33	16	32	1
34	16	33	1
35	16	34	1
36	17	35	1
37	19	36	1
38	19	37	1
39	21	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1