@<TRIPOS>MOLECULE
DB04280
35 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1    -2.5309    -6.4090    -0.8773	P	1	noname	0.0149
2	O1    -3.6733    -6.1774    -0.0317	O.2	1	noname	-0.1967
3	O2    -1.6063    -5.1781    -0.8394	O.3	1	noname	-0.1525
4	O3    -1.7618    -7.6445    -0.3738	O.3	1	noname	-0.1645
5	O4    -3.0031    -6.6522    -2.3228	O.3	1	noname	-0.1645
6	C1    -0.4798    -5.4065    -1.6732	C.3	1	noname	0.0913
7	C2     0.4389    -4.1836    -1.6357	C.3	1	noname	0.1100
8	O5     0.8773    -3.9578    -0.2933	O.3	1	noname	-0.3537
9	C3     1.6842    -4.4520    -2.4944	C.3	1	noname	0.0864
10	C4     2.0189    -3.1209    -0.4569	C.3	1	noname	0.1243
11	O6     1.5211    -3.8446    -3.7676	O.3	1	noname	-0.3900
12	C5     2.7370    -3.6847    -1.6950	C.3	1	noname	0.0166
13	N1     2.9097    -3.0352     0.6666	N.3	1	noname	0.0152
14	C6     3.2096    -4.1103     1.4378	C.2	1	noname	-0.0168
15	C7     3.6833    -1.9297     0.7697	C.2	1	noname	-0.0720
16	O7     2.3242    -5.0780     1.5857	O.3	1	noname	-0.2504
17	N2     4.3605    -4.1941     2.0310	N.2	1	noname	-0.1938
18	C8     4.8943    -1.9603     1.3639	C.2	1	noname	-0.0314
19	C9     5.3859    -3.2208     1.9289	C.3	1	noname	0.1691
20	O8     6.0167    -3.0167     3.1839	O.3	1	noname	-0.3680
21	H1    -1.7583    -7.6501     0.5862	H	1	noname	0.2283
22	H2    -3.0568    -7.5965    -2.4873	H	1	noname	0.2283
23	H3     0.0526    -6.2428    -1.2201	H	1	noname	0.0605
24	H4    -0.8793    -5.4978    -2.6832	H	1	noname	0.0605
25	H5    -0.1011    -3.2906    -1.9504	H	1	noname	0.0656
26	H6     1.9090    -5.4904    -2.7378	H	1	noname	0.0630
27	H7     1.6540    -2.0945    -0.4951	H	1	noname	0.0787
28	H8     1.4352    -4.5259    -4.4385	H	1	noname	0.2105
29	H9     3.4718    -4.4103    -1.3460	H	1	noname	0.0335
30	H10     3.0537    -2.8383    -2.3043	H	1	noname	0.0335
31	H11     3.3200    -0.9864     0.3620	H	1	noname	0.0755
32	H12     2.1780    -5.2378     2.5209	H	1	noname	0.2209
33	H13     5.4445    -1.0197     1.3863	H	1	noname	0.0634
34	H14     6.1370    -3.6371     1.2576	H	1	noname	0.0912
35	H15     6.2173    -3.8664     3.5831	H	1	noname	0.2131
@<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	1
17	14	17	2
18	15	18	2
19	17	19	1
20	18	19	1
21	19	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	15	31	1
33	16	32	1
34	18	33	1
35	19	34	1
36	20	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1