@<TRIPOS>MOLECULE
DB02798
39 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1     6.9969     0.7916     0.8211	P	1	noname	0.0183
2	O1     7.7178     1.0763     2.0347	O.2	1	noname	-0.2301
3	O2     5.7495    -0.0494     1.1503	O.3	1	noname	-0.1821
4	O3     6.5649     2.1130     0.1586	O.3	1	noname	-0.1943
5	C1     7.9702    -0.0493    -0.2123	C.3	1	noname	0.0437
6	C2     5.0387    -0.3302    -0.0465	C.3	1	noname	0.0892
7	C3     3.7994    -1.1658     0.2805	C.3	1	noname	0.1129
8	O4     2.9695    -0.4488     1.1617	O.3	1	noname	-0.3483
9	C4     2.9952    -1.4077    -0.9987	C.3	1	noname	0.1127
10	C5     1.6997    -1.0376     0.9382	C.3	1	noname	0.1590
11	O5     3.0976    -2.7742    -1.3708	O.3	1	noname	-0.3873
12	C6     1.5592    -1.0996    -0.5844	C.3	1	noname	0.1258
13	N1     0.6886    -0.3530     1.6823	N.3	1	noname	0.0257
14	O6     0.7203    -2.1892    -0.9384	O.3	1	noname	-0.3857
15	C7     0.7080    -0.1899     3.0244	C.2	1	noname	0.1238
16	C8    -0.4313     0.2843     1.2244	C.2	1	noname	-0.0362
17	N2     1.5820    -0.6240     3.9827	N.2	1	noname	-0.2441
18	C9    -0.4106     0.6016     3.3235	C.2	1	noname	0.0254
19	N3    -1.1074     0.8727     2.2257	N.2	1	noname	-0.2172
20	C10     1.3754    -0.2530     5.2899	C.2	1	noname	0.0503
21	C11    -0.6127     0.9837     4.6638	C.2	1	noname	0.0729
22	N4     0.2934     0.5415     5.5833	N.2	1	noname	-0.2575
23	N5    -1.6522     1.7500     5.0214	N.3	1	noname	-0.1031
24	H1     6.3541     2.7576     0.8380	H	1	noname	0.2259
25	H2     8.6716    -0.6553     0.3612	H	1	noname	0.0381
26	H3     7.3592    -0.6975    -0.8405	H	1	noname	0.0381
27	H4     8.5229     0.6494    -0.8405	H	1	noname	0.0381
28	H5     4.7044     0.6377    -0.4200	H	1	noname	0.0604
29	H6     5.7107    -0.9435    -0.6468	H	1	noname	0.0604
30	H7     4.0772    -2.0881     0.7907	H	1	noname	0.0657
31	H8     3.3470    -0.8654    -1.8763	H	1	noname	0.0657
32	H9     1.6035    -2.0247     1.3905	H	1	noname	0.0853
33	H10     3.1384    -3.3187    -0.5812	H	1	noname	0.2106
34	H11     1.0868    -0.2442    -1.0675	H	1	noname	0.0674
35	H12     0.3936    -2.6135    -0.1416	H	1	noname	0.2107
36	H13    -0.7482     0.3193     0.1821	H	1	noname	0.1016
37	H14     2.0546    -0.5817     6.0765	H	1	noname	0.1062
38	H15    -1.5249     2.7428     5.1562	H	1	noname	0.1258
39	H16    -2.5629     1.3347     5.1562	H	1	noname	0.1258
@<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	17	20	1
21	18	21	2
22	18	19	1
23	20	22	2
24	21	23	1
25	21	22	1
26	4	24	1
27	5	25	1
28	5	26	1
29	5	27	1
30	6	28	1
31	6	29	1
32	7	30	1
33	9	31	1
34	10	32	1
35	11	33	1
36	12	34	1
37	14	35	1
38	16	36	1
39	20	37	1
40	23	38	1
41	23	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1