@<TRIPOS>MOLECULE
DB02849
39 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1     0.9570    -2.0318    -3.5491	P	1	noname	0.0155
2	O1     0.5361    -1.8181    -4.9095	O.2	1	noname	-0.1965
3	O2     0.1631    -1.1009    -2.6138	O.3	1	noname	-0.1511
4	O3     0.6972    -3.4979    -3.1557	O.3	1	noname	-0.1644
5	O4     2.4609    -1.7253    -3.4229	O.3	1	noname	-0.1644
6	C1     0.5782    -1.3117    -1.2723	C.3	1	noname	0.0894
7	C2    -0.1745    -0.4292    -0.3856	C.2	1	noname	-0.0044
8	C3     0.3084     0.8856    -0.0677	C.2	1	noname	0.0076
9	C4    -1.4182    -0.8503     0.1935	C.2	1	noname	-0.0060
10	C5    -0.4141     1.7704     0.8012	C.2	1	noname	0.0324
11	C6     1.5715     1.3352    -0.6456	C.3	1	noname	0.0246
12	N1    -2.0977     0.0225     1.0299	N.2	1	noname	-0.2528
13	O5     0.0546     3.0032     1.0892	O.3	1	noname	-0.2763
14	C7    -1.6497     1.3000     1.3520	C.2	1	noname	0.0275
15	N2     1.3145     1.9970    -1.9237	N.3	1	noname	-0.2986
16	C8    -2.4316     2.1525     2.2428	C.3	1	noname	0.0427
17	C9     2.5794     2.4473    -2.5023	C.3	1	noname	0.1053
18	C10     3.7989     1.6445    -2.5069	C.2	1	noname	0.1455
19	C11     2.3105     3.1398    -3.8398	C.3	1	noname	-0.0229
20	C12     2.5859     3.9749    -2.5878	C.3	1	noname	-0.0229
21	O6     3.8133     0.5329    -3.0783	O.2	1	noname	-0.2484
22	O7     4.9110     2.1029    -1.8940	O.3	1	noname	-0.2130
23	H1     0.6836    -3.5748    -2.1989	H	1	noname	0.2283
24	H2     2.7007    -1.6764    -2.4946	H	1	noname	0.2283
25	H3     0.2988    -2.3354    -1.0230	H	1	noname	0.0629
26	H4     1.6229    -1.0046    -1.2236	H	1	noname	0.0629
27	H5    -1.8469    -1.8333    -0.0018	H	1	noname	0.0843
28	H6     1.9723     2.0937     0.0269	H	1	noname	0.0480
29	H7     2.1528     0.4398    -0.8656	H	1	noname	0.0480
30	H8     0.0971     3.1149     2.0418	H	1	noname	0.2182
31	H9     0.4041     2.1234    -2.3422	H	1	noname	0.1236
32	H10    -2.2023     1.9025     3.2787	H	1	noname	0.0296
33	H11    -2.1821     3.1972     2.0573	H	1	noname	0.0296
34	H12    -3.4939     1.9941     2.0573	H	1	noname	0.0296
35	H13     3.1223     3.0957    -4.5658	H	1	noname	0.0292
36	H14     1.2747     3.1252    -4.1790	H	1	noname	0.0292
37	H15     1.7201     4.4755    -2.1545	H	1	noname	0.0292
38	H16     3.5677     4.4460    -2.5413	H	1	noname	0.0292
39	H17     4.7947     2.0550    -0.9423	H	1	noname	0.2213
@<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	15	17	1
18	17	18	1
19	17	19	1
20	17	20	1
21	18	21	2
22	18	22	1
23	19	20	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	19	35	1
37	19	36	1
38	20	37	1
39	20	38	1
40	22	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1