@<TRIPOS>MOLECULE
DB02382
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1    -4.5443    -3.3620    -2.1393	P	1	noname	-0.1256
2	O1    -5.3371    -2.5780    -3.0507	O.2	1	noname	-0.3254
3	O2    -3.7487    -2.4235    -1.2130	O.3	1	noname	-0.2442
4	O3    -5.4692    -4.2560    -1.2926	O.3	1	noname	-0.3540
5	O4    -3.5671    -4.2448    -2.9376	O.3	1	noname	-0.3254
6	C1    -2.9669    -3.1966    -0.3143	C.3	1	noname	0.0809
7	C2    -2.1765    -2.2642     0.6059	C.3	1	noname	0.1164
8	O5    -3.0832    -1.4451     1.3466	O.3	1	noname	-0.3196
9	C3    -1.3890    -3.1012     1.6309	C.3	1	noname	0.1174
10	C4    -2.2751    -1.0015     2.4389	C.3	1	noname	0.1745
11	O6    -0.0293    -3.1839     1.2299	O.3	1	noname	-0.3871
12	C5    -1.4949    -2.2593     2.9100	C.3	1	noname	0.1595
13	N1    -3.0620    -0.2436     3.3796	N.2	1	noname	-0.0186
14	O7    -0.1946    -1.8782     3.3348	O.3	1	noname	-0.3813
15	C6    -3.0727     1.1295     3.1372	C.2	1	noname	0.1962
16	C7    -3.7852    -0.8341     4.4229	C.2	1	noname	0.1679
17	C8    -3.8355     1.9939     3.9806	C.2	1	noname	0.0842
18	C9    -4.5586    -0.0189     5.3056	C.2	1	noname	0.0458
19	C10    -3.8672     3.3674     3.7690	C.2	1	noname	0.1051
20	C11    -4.5657     1.3884     5.0524	C.2	1	noname	0.0375
21	O8    -4.5433     4.1004     4.5227	O.2	1	noname	-0.2546
22	O9    -3.1679     3.9096     2.7495	O.3	1	noname	-0.2156
23	H1    -5.3036    -4.0959    -0.3607	H	1	noname	0.1815
24	H2    -3.6837    -3.7457     0.2962	H	1	noname	0.0596
25	H3    -2.2557    -3.7373    -0.9387	H	1	noname	0.0596
26	H4    -1.5425    -1.6018     0.0166	H	1	noname	0.0658
27	H5    -1.6935    -4.1434     1.7269	H	1	noname	0.0659
28	H6    -1.5851    -0.2024     2.1682	H	1	noname	0.1331
29	H7     0.5322    -3.2181     2.0078	H	1	noname	0.2106
30	H8    -1.9038    -2.7801     3.7759	H	1	noname	0.0724
31	H9    -0.1615    -1.8685     4.2942	H	1	noname	0.2110
32	H10    -2.4935     1.5211     2.3011	H	1	noname	0.1272
33	H11    -3.7464    -1.9163     4.5467	H	1	noname	0.1263
34	H12    -5.1183    -0.4514     6.1350	H	1	noname	0.0681
35	H13    -5.1556     2.0299     5.7072	H	1	noname	0.0635
36	H14    -2.7964     3.2093     2.2081	H	1	noname	0.2216
@<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	2
16	13	16	1
17	15	17	1
18	16	18	2
19	17	19	1
20	17	20	2
21	18	20	1
22	19	21	2
23	19	22	1
24	4	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	15	32	1
34	16	33	1
35	18	34	1
36	20	35	1
37	22	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1