@<TRIPOS>MOLECULE
DB04060
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1    -5.0133    -3.0688     1.9439	P	1	noname	0.0149
2	O1    -5.7552    -3.8436     0.9833	O.2	1	noname	-0.1967
3	O2    -3.6201    -2.7427     1.3744	O.3	1	noname	-0.1525
4	O3    -5.7670    -1.7586     2.2387	O.3	1	noname	-0.1645
5	O4    -4.8594    -3.8766     3.2460	O.3	1	noname	-0.1645
6	C1    -2.8885    -1.9786     2.3218	C.3	1	noname	0.0913
7	C2    -1.5044    -1.6546     1.7560	C.3	1	noname	0.1087
8	O5    -1.6472    -0.9050     0.5477	O.3	1	noname	-0.3649
9	C3    -0.7292    -0.8062     2.7618	C.3	1	noname	0.0854
10	C4    -0.3605    -0.2830     0.4337	C.3	1	noname	0.0872
11	O6     0.2853    -1.5960     3.3647	O.3	1	noname	-0.3901
12	C5    -0.0893     0.2394     1.8600	C.3	1	noname	0.0064
13	C6    -0.3304     0.6702    -0.7099	C.2	1	noname	-0.0254
14	C7    -0.0624     2.0722    -0.5843	C.2	1	noname	0.0044
15	C8    -0.5821     0.1503    -2.0253	C.2	1	noname	-0.0277
16	N1    -0.0773     2.8452    -1.7179	N.2	1	noname	-0.2284
17	C9    -0.5990     0.9656    -3.1858	C.2	1	noname	0.0064
18	C10    -0.3363     2.3433    -2.9754	C.2	1	noname	0.0471
19	C11    -0.8698     0.4210    -4.5131	C.3	1	noname	0.0187
20	O7    -0.3398     3.1834    -4.0321	O.3	1	noname	-0.2542
21	H1    -5.8372    -1.6365     3.1883	H	1	noname	0.2283
22	H2    -4.8831    -4.8150     3.0451	H	1	noname	0.2283
23	H3    -3.4377    -1.0430     2.4272	H	1	noname	0.0605
24	H4    -2.7564    -2.6330     3.1834	H	1	noname	0.0605
25	H5    -0.9664    -2.5662     1.4960	H	1	noname	0.0655
26	H6    -1.2992    -0.4221     3.6077	H	1	noname	0.0629
27	H7     0.4277    -0.9657     0.1164	H	1	noname	0.0656
28	H8     0.2107    -1.5379     4.3200	H	1	noname	0.2105
29	H9    -0.6393     1.1714     1.9905	H	1	noname	0.0324
30	H10     0.9866     0.2127     2.0325	H	1	noname	0.0324
31	H11     0.1524     2.5498     0.3717	H	1	noname	0.0844
32	H12    -0.7696    -0.9163    -2.1491	H	1	noname	0.0631
33	H13    -0.8605    -0.6680    -4.4678	H	1	noname	0.0281
34	H14    -1.8475     0.7622    -4.8533	H	1	noname	0.0281
35	H15    -0.1035     0.7622    -5.2091	H	1	noname	0.0281
36	H16    -0.3426     2.6741    -4.8458	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	13	14	2
15	13	15	1
16	14	16	1
17	15	17	2
18	16	18	2
19	17	19	1
20	17	18	1
21	18	20	1
22	4	21	1
23	5	22	1
24	6	23	1
25	6	24	1
26	7	25	1
27	9	26	1
28	10	27	1
29	11	28	1
30	12	29	1
31	12	30	1
32	14	31	1
33	15	32	1
34	19	33	1
35	19	34	1
36	19	35	1
37	20	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1