@<TRIPOS>MOLECULE
DB07116
40 42 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1     6.9395     0.7057    -2.4981	P	1	noname	0.0149
2	O1     7.0062     2.1046    -2.8329	O.2	1	noname	-0.1967
3	O2     5.7566     0.4624    -1.5426	O.3	1	noname	-0.1525
4	O3     8.2502     0.2791    -1.8115	O.3	1	noname	-0.1645
5	O4     6.7402    -0.1205    -3.7824	O.3	1	noname	-0.1645
6	C1     5.6908    -0.9171    -1.2124	C.3	1	noname	0.0913
7	C2     4.5155    -1.1588    -0.2630	C.3	1	noname	0.1103
8	O5     4.7003    -0.3927     0.9277	O.3	1	noname	-0.3513
9	C3     4.4766    -2.6395     0.1358	C.3	1	noname	0.0867
10	C4     3.8678    -1.0972     1.8544	C.3	1	noname	0.1303
11	O6     3.3746    -3.2717    -0.4984	O.3	1	noname	-0.3900
12	C5     4.2322    -2.5796     1.6363	C.3	1	noname	0.0194
13	N1     4.0009    -0.5037     3.1626	N.3	1	noname	-0.0604
14	C6     3.7311     0.7972     3.4300	C.2	1	noname	-0.0829
15	C7     4.4190    -1.0975     4.3145	C.2	1	noname	-0.1073
16	C8     4.0528     1.0140     4.7907	C.2	1	noname	-0.0368
17	C9     3.2405     1.8654     2.6101	C.2	1	noname	-0.0481
18	C10     4.4735    -0.1778     5.3620	C.2	1	noname	-0.0372
19	C11     3.9378     2.2825     5.4137	C.2	1	noname	-0.0378
20	C12     3.1157     3.1494     3.2207	C.2	1	noname	-0.0518
21	C13     3.4630     3.3504     4.5936	C.2	1	noname	-0.0568
22	C14     4.2858     2.4855     6.8171	C.3	1	noname	0.0028
23	H1     8.1388     0.3154    -0.8586	H	1	noname	0.2283
24	H2     6.7733    -1.0560    -3.5694	H	1	noname	0.2283
25	H3     5.4785    -1.4307    -2.1501	H	1	noname	0.0605
26	H4     6.6121    -1.1307    -0.6705	H	1	noname	0.0605
27	H5     3.5819    -0.8246    -0.7155	H	1	noname	0.0656
28	H6     5.3355    -3.2362    -0.1713	H	1	noname	0.0630
29	H7     2.7961    -0.9486     1.7228	H	1	noname	0.0823
30	H8     2.7756    -3.6153     0.1685	H	1	noname	0.2105
31	H9     3.3552    -3.1869     1.8602	H	1	noname	0.0338
32	H10     5.1774    -2.7803     2.1407	H	1	noname	0.0338
33	H11     4.6731    -2.1550     4.3875	H	1	noname	0.0792
34	H12     2.9732     1.7078     1.5652	H	1	noname	0.0642
35	H13     4.7766    -0.3513     6.3945	H	1	noname	0.0643
36	H14     2.7496     3.9889     2.6297	H	1	noname	0.0623
37	H15     3.3631     4.3455     5.0272	H	1	noname	0.0625
38	H16     4.4067     1.5183     7.3049	H	1	noname	0.0280
39	H17     5.2190     3.0448     6.8828	H	1	noname	0.0280
40	H18     3.4914     3.0448     7.3112	H	1	noname	0.0280
@<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	1
15	13	15	1
16	14	16	2
17	14	17	1
18	15	18	2
19	16	19	1
20	16	18	1
21	17	20	2
22	19	21	2
23	19	22	1
24	20	21	1
25	4	23	1
26	5	24	1
27	6	25	1
28	6	26	1
29	7	27	1
30	9	28	1
31	10	29	1
32	11	30	1
33	12	31	1
34	12	32	1
35	15	33	1
36	17	34	1
37	18	35	1
38	20	36	1
39	21	37	1
40	22	38	1
41	22	39	1
42	22	40	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1