@<TRIPOS>MOLECULE
DB04757
39 42 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1     6.5990     0.0397     0.8244	P	1	noname	0.0415
2	O1     7.0520     1.4001     0.9577	O.2	1	noname	-0.2144
3	O2     7.2069    -0.8165     1.9509	O.3	1	noname	-0.1821
4	O3     7.0429    -0.5178    -0.5408	O.3	1	noname	-0.1821
5	C1     4.9528    -0.0043     0.9275	C.3	1	noname	0.2683
6	O4     4.5404     0.5136     2.1956	O.3	1	noname	-0.3301
7	O5     4.4942    -1.3337     0.6672	O.3	1	noname	-0.3317
8	C2     3.6804    -0.4963     2.6844	C.3	1	noname	0.1336
9	C3     4.0298    -1.7635     1.9439	C.3	1	noname	0.1206
10	C4     2.2302    -0.2795     2.2140	C.3	1	noname	0.1582
11	C5     2.6704    -2.4802     1.8633	C.3	1	noname	0.1121
12	O6     1.6480    -1.5730     2.3026	O.3	1	noname	-0.3484
13	N1     1.5974     0.7623     2.9246	N.3	1	noname	0.0168
14	C6     2.6872    -3.7095     2.7740	C.3	1	noname	0.0722
15	C7     0.9111     0.6560     4.0734	C.2	1	noname	0.0101
16	C8     1.6476     2.0649     2.5739	C.2	1	noname	-0.0328
17	O7     1.4328    -4.3708     2.6996	O.3	1	noname	-0.3934
18	N2     0.5767    -0.4368     4.8165	N.3	1	noname	0.0740
19	C9     0.5831     1.9641     4.4349	C.2	1	noname	0.0618
20	N3     1.0255     2.8164     3.5131	N.2	1	noname	-0.2092
21	C10    -0.1068    -0.2560     5.9909	C.2	1	noname	-0.0476
22	C11    -0.1165     2.1475     5.6532	C.2	1	noname	0.1449
23	N4    -0.4263     1.0199     6.3748	N.2	1	noname	-0.1575
24	N5    -0.4552    -1.3054     6.7479	N.3	1	noname	-0.1336
25	O8    -0.4383     3.2867     6.0546	O.2	1	noname	-0.2466
26	H1     7.0942    -1.7467     1.7421	H	1	noname	0.2261
27	H2     7.0338    -1.4773    -0.5128	H	1	noname	0.2261
28	H3     4.3565     0.5860     0.2316	H	1	noname	0.1090
29	H4     3.8333    -0.4706     3.7633	H	1	noname	0.0679
30	H5     4.8277    -2.3922     2.3394	H	1	noname	0.0662
31	H6     2.0436     0.0923     1.2065	H	1	noname	0.0852
32	H7     2.4177    -2.7621     0.8411	H	1	noname	0.0657
33	H8     3.4130    -4.4169     2.3730	H	1	noname	0.0591
34	H9     2.7737    -3.3651     3.8045	H	1	noname	0.0591
35	H10     2.1187     2.4510     1.6699	H	1	noname	0.1016
36	H11     1.1081    -4.5419     3.5867	H	1	noname	0.2101
37	H12     0.8305    -1.3628     4.5030	H	1	noname	0.0676
38	H13    -1.4166    -1.4253     7.0332	H	1	noname	0.1257
39	H14     0.2437    -1.9765     7.0332	H	1	noname	0.1257
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	1	4	1
4	5	1	1
5	5	6	1
6	5	7	1
7	8	6	1
8	9	7	1
9	8	10	1
10	8	9	1
11	9	11	1
12	10	12	1
13	10	13	1
14	11	14	1
15	11	12	1
16	13	15	1
17	13	16	1
18	14	17	1
19	15	18	1
20	15	19	2
21	16	20	2
22	18	21	1
23	19	22	1
24	19	20	1
25	21	23	2
26	21	24	1
27	22	25	2
28	22	23	1
29	3	26	1
30	4	27	1
31	5	28	1
32	8	29	1
33	9	30	1
34	10	31	1
35	11	32	1
36	14	33	1
37	14	34	1
38	16	35	1
39	17	36	1
40	18	37	1
41	24	38	1
42	24	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1