@<TRIPOS>MOLECULE
DB03666
37 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1    -4.3255    -4.7358    -0.5463	P	1	noname	0.0149
2	O1    -4.8417    -5.0612    -1.8506	O.2	1	noname	-0.1967
3	O2    -3.5958    -3.3809    -0.6064	O.3	1	noname	-0.1526
4	O3    -5.4887    -4.6481     0.4590	O.3	1	noname	-0.1645
5	O4    -3.3397    -5.8302    -0.0966	O.3	1	noname	-0.1645
6	C1    -3.0867    -3.0600     0.6797	C.3	1	noname	0.0900
7	C2    -2.3618    -1.7140     0.6200	C.3	1	noname	0.1027
8	O5    -3.2766    -0.6983     0.2027	O.3	1	noname	-0.3552
9	C3    -1.8242    -1.3607     2.0120	C.3	1	noname	0.1228
10	C4    -2.6044     0.4792     0.6589	C.3	1	noname	0.1242
11	N1    -0.4680    -1.5842     2.0498	N.2	1	noname	-0.0865
12	C5    -2.0939     0.1365     2.0773	C.3	1	noname	0.0092
13	N2    -3.4444     1.6319     0.4525	N.3	1	noname	0.0573
14	N3    -0.0259    -2.3448     2.8074	N.1	1	noname	0.0071
15	C6    -3.3027     2.2742    -0.7585	C.2	1	noname	0.1090
16	C7    -4.3790     2.0697     1.3851	C.2	1	noname	-0.0393
17	N4     0.4162    -3.1055     3.5650	N.2	1	noname	-0.1014
18	O6    -2.4759     1.8758    -1.6072	O.2	1	noname	-0.2475
19	N5    -4.0975     3.3638    -1.0024	N.2	1	noname	-0.1274
20	C8    -5.2087     3.2016     1.1725	C.2	1	noname	0.0283
21	C9    -5.0158     3.8286    -0.0876	C.2	1	noname	0.0445
22	C10    -6.1731     3.6783     2.1595	C.3	1	noname	-0.0346
23	O7    -5.7559     4.9141    -0.3979	O.3	1	noname	-0.2561
24	H1    -5.1413    -4.6743     1.3536	H	1	noname	0.2283
25	H2    -3.3118    -5.8612     0.8625	H	1	noname	0.2283
26	H3    -3.9623    -2.9439     1.3184	H	1	noname	0.0604
27	H4    -2.3490    -3.8313     0.9012	H	1	noname	0.0604
28	H5    -1.5671    -1.7305    -0.1258	H	1	noname	0.0641
29	H6    -2.1811    -1.9593     2.8501	H	1	noname	0.0513
30	H7    -1.7694     0.7856     0.0288	H	1	noname	0.0787
31	H8    -2.9105     0.2967     2.7813	H	1	noname	0.0321
32	H9    -1.1388     0.6401     2.2267	H	1	noname	0.0321
33	H10    -4.4641     1.5065     2.3144	H	1	noname	0.0762
34	H11    -5.7903     3.4891     3.1624	H	1	noname	0.0281
35	H12    -6.3302     4.7487     2.0265	H	1	noname	0.0281
36	H13    -7.1189     3.1531     2.0265	H	1	noname	0.0281
37	H14    -6.0485     5.3433     0.4094	H	1	noname	0.2199
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	1	4	1
4	1	5	1
5	3	6	1
6	7	6	1
7	7	8	1
8	7	9	1
9	8	10	1
10	9	11	1
11	9	12	1
12	10	13	1
13	10	12	1
14	11	14	2
15	13	15	1
16	13	16	1
17	14	17	2
18	15	18	2
19	15	19	1
20	16	20	2
21	19	21	2
22	20	22	1
23	20	21	1
24	21	23	1
25	4	24	1
26	5	25	1
27	6	26	1
28	6	27	1
29	7	28	1
30	9	29	1
31	10	30	1
32	12	31	1
33	12	32	1
34	16	33	1
35	22	34	1
36	22	35	1
37	22	36	1
38	23	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1