@<TRIPOS>MOLECULE
DB03097
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1    -0.5133    -1.2407    -3.8111	P	1	noname	0.0155
2	O1    -0.5309    -0.5330    -5.0651	O.2	1	noname	-0.1965
3	O2    -0.2642    -0.2448    -2.6631	O.3	1	noname	-0.1511
4	O3     0.6112    -2.2927    -3.8310	O.3	1	noname	-0.1644
5	O4    -1.8680    -1.9413    -3.5979	O.3	1	noname	-0.1644
6	C1    -0.2469    -0.9426    -1.4265	C.3	1	noname	0.0894
7	C2    -0.0108     0.0016    -0.3382	C.2	1	noname	-0.0043
8	C3     1.1213    -0.1123     0.5280	C.2	1	noname	0.0078
9	C4    -0.8899     1.0815    -0.0812	C.2	1	noname	-0.0060
10	C5     1.4272     0.7581     1.6249	C.2	1	noname	0.0325
11	C6     1.9514    -1.2776     0.3212	C.3	1	noname	0.0284
12	N1    -0.5597     1.9087     0.9807	N.2	1	noname	-0.2528
13	O5     2.5148     0.5723     2.4027	O.3	1	noname	-0.2763
14	C7     0.5199     1.8264     1.8454	C.2	1	noname	0.0275
15	N2     2.9686    -1.1060    -0.6666	N.3	1	noname	-0.0995
16	C8     0.7137     2.7883     2.9265	C.3	1	noname	0.0427
17	C9     4.1448    -1.8046    -0.6377	C.2	1	noname	0.1215
18	C10     5.1554    -1.6502    -1.5713	C.2	1	noname	0.1488
19	C11     4.6153    -2.7375     0.2940	C.2	1	noname	0.0539
20	O6     5.1539    -0.8129    -2.6304	O.3	1	noname	-0.2320
21	N3     6.1358    -2.4939    -1.2190	N.2	1	noname	-0.1346
22	O7     5.8274    -3.1421    -0.1308	O.3	1	noname	-0.3992
23	H1     0.8534    -2.5193    -2.9302	H	1	noname	0.2283
24	H2    -2.0382    -2.0294    -2.6573	H	1	noname	0.2283
25	H3    -1.2492    -1.3488    -1.2904	H	1	noname	0.0629
26	H4     0.6121    -1.6125    -1.4654	H	1	noname	0.0629
27	H5    -1.7839     1.2683    -0.6762	H	1	noname	0.0843
28	H6     2.4811    -1.4391     1.2601	H	1	noname	0.0483
29	H7     1.2909    -2.0505    -0.0717	H	1	noname	0.0483
30	H8     2.2586     0.6161     3.3268	H	1	noname	0.2182
31	H9     2.8494    -0.4538    -1.4286	H	1	noname	0.1287
32	H10     0.8813     2.2546     3.8620	H	1	noname	0.0296
33	H11     1.5782     3.4142     2.7053	H	1	noname	0.0296
34	H12    -0.1738     3.4142     3.0193	H	1	noname	0.0296
35	H13     4.1205    -3.0899     1.1991	H	1	noname	0.0943
36	H14     5.1527    -1.3245    -3.4427	H	1	noname	0.2200
@<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	2
20	18	20	1
21	18	21	2
22	19	22	1
23	21	22	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	20	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1