@<TRIPOS>MOLECULE
DB02805
34 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1     0.0056    -4.1878    -2.9352	P	1	noname	0.0165
2	O1    -0.4465    -4.7990    -4.1581	O.2	1	noname	-0.1963
3	O2    -0.7921    -2.8952    -2.6818	O.3	1	noname	-0.1482
4	O3     1.5039    -3.8517    -3.0526	O.3	1	noname	-0.1643
5	O4    -0.2113    -5.1630    -1.7632	O.3	1	noname	-0.1643
6	C1    -0.3463    -2.2925    -1.4758	C.3	1	noname	0.1315
7	C2    -1.1276    -1.0264    -1.2277	C.3	1	noname	0.1243
8	C3    -0.7435    -3.1799    -0.2809	C.3	1	noname	0.1127
9	O5    -0.4249    -0.2103    -0.3023	O.3	1	noname	-0.3860
10	C4    -2.3593    -1.6138    -0.5530	C.3	1	noname	0.1514
11	O6    -1.8529    -2.5819     0.3875	O.3	1	noname	-0.3508
12	C5     0.4363    -3.2898     0.6871	C.3	1	noname	0.0722
13	N1    -3.2175    -0.5974    -0.0027	N.3	1	noname	0.0573
14	O7     0.0702    -4.1078     1.7886	O.3	1	noname	-0.3934
15	C6    -3.0595    -0.1044     1.2826	C.2	1	noname	0.1091
16	C7    -4.1874    -0.0728    -0.8471	C.2	1	noname	-0.0431
17	O8    -2.1947    -0.5769     2.0516	O.2	1	noname	-0.2474
18	N2    -3.8780     0.9142     1.6844	N.2	1	noname	-0.1286
19	C8    -5.0547     0.9960    -0.4713	C.2	1	noname	0.0228
20	C9    -4.8335     1.4541     0.8646	C.2	1	noname	0.0411
21	O9    -5.5981     2.4608     1.3381	O.3	1	noname	-0.2572
22	H1     1.8826    -3.7667    -2.1746	H	1	noname	0.2283
23	H2    -0.1521    -6.0661    -2.0832	H	1	noname	0.2283
24	H3     0.7224    -2.1450    -1.6319	H	1	noname	0.0671
25	H4    -1.2873    -0.3702    -2.0832	H	1	noname	0.0671
26	H5    -1.0790    -4.1674    -0.5977	H	1	noname	0.0657
27	H6    -0.6514    -0.4733     0.5928	H	1	noname	0.2107
28	H7    -3.0656    -2.1239    -1.2081	H	1	noname	0.0816
29	H8     1.2394    -3.8257     0.1812	H	1	noname	0.0591
30	H9     0.6211    -2.3013     1.1078	H	1	noname	0.0591
31	H10     0.1521    -5.0319     1.5421	H	1	noname	0.2101
32	H11    -4.2709    -0.5154    -1.8397	H	1	noname	0.0759
33	H12    -5.8083     1.4187    -1.1358	H	1	noname	0.0677
34	H13    -5.5874     2.4467     2.2979	H	1	noname	0.2199
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	1	4	1
4	1	5	1
5	6	3	1
6	6	7	1
7	6	8	1
8	7	9	1
9	7	10	1
10	8	11	1
11	8	12	1
12	10	13	1
13	10	11	1
14	12	14	1
15	13	15	1
16	13	16	1
17	15	17	2
18	15	18	1
19	16	19	2
20	18	20	2
21	19	20	1
22	20	21	1
23	4	22	1
24	5	23	1
25	6	24	1
26	7	25	1
27	8	26	1
28	9	27	1
29	10	28	1
30	12	29	1
31	12	30	1
32	14	31	1
33	16	32	1
34	19	33	1
35	21	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1