@<TRIPOS>MOLECULE
DB03403
35 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1    -4.6833    -3.1328    -2.2244	P	1	noname	0.0149
2	O1    -5.9784    -2.8770    -1.6491	O.2	1	noname	-0.1967
3	O2    -3.6833    -2.0710    -1.7304	O.3	1	noname	-0.1525
4	O3    -4.7822    -3.0697    -3.7600	O.3	1	noname	-0.1645
5	O4    -4.1994    -4.5313    -1.7982	O.3	1	noname	-0.1645
6	C1    -2.4062    -2.3232    -2.2978	C.3	1	noname	0.0914
7	C2    -1.4127    -1.2683    -1.8070	C.3	1	noname	0.1127
8	O5    -1.8613     0.0284    -2.2021	O.3	1	noname	-0.3508
9	C3    -0.0373    -1.5350    -2.4264	C.3	1	noname	0.1124
10	C4    -0.6480     0.7791    -2.1099	C.3	1	noname	0.1514
11	O6     0.8135    -2.1243    -1.4541	O.3	1	noname	-0.3873
12	C5     0.4422    -0.1218    -2.7307	C.3	1	noname	0.1230
13	N1    -0.8583     2.1124    -2.6148	N.3	1	noname	0.0554
14	O7     1.6791     0.1103    -2.0730	O.3	1	noname	-0.3860
15	C6    -0.7094     2.4525    -3.9498	C.2	1	noname	0.1025
16	C7    -1.2674     3.0571    -1.6863	C.2	1	noname	-0.0516
17	O8    -0.3700     1.5986    -4.7972	O.2	1	noname	-0.2487
18	N2    -0.9451     3.7524    -4.3138	N.2	1	noname	-0.1587
19	C8    -1.5349     4.4063    -2.0316	C.2	1	noname	-0.0083
20	C9    -1.3447     4.7060    -3.4022	C.2	1	noname	-0.0358
21	N3    -1.5602     5.9584    -3.8274	N.3	1	noname	-0.1313
22	H1    -4.8052    -3.9610    -4.1160	H	1	noname	0.2283
23	H2    -4.1808    -4.5852    -0.8399	H	1	noname	0.2283
24	H3    -2.0969    -3.2896    -1.8995	H	1	noname	0.0605
25	H4    -2.5344    -2.1923    -3.3723	H	1	noname	0.0605
26	H5    -1.3644    -1.2503    -0.7182	H	1	noname	0.0657
27	H6    -0.0080    -2.2392    -3.2578	H	1	noname	0.0657
28	H7    -0.3690     1.0457    -1.0905	H	1	noname	0.0816
29	H8     0.4958    -1.9042    -0.5753	H	1	noname	0.2106
30	H9     0.6631     0.0643    -3.7817	H	1	noname	0.0671
31	H10     1.5458     0.0853    -1.1226	H	1	noname	0.2107
32	H11    -1.3823     2.7291    -0.6532	H	1	noname	0.0759
33	H12    -1.8595     5.1505    -1.3044	H	1	noname	0.0666
34	H13    -0.7795     6.5787    -3.9876	H	1	noname	0.1257
35	H14    -2.5035     6.2820    -3.9876	H	1	noname	0.1257
@<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	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	6	25	1
27	7	26	1
28	9	27	1
29	10	28	1
30	11	29	1
31	12	30	1
32	14	31	1
33	16	32	1
34	19	33	1
35	21	34	1
36	21	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1