@<TRIPOS>MOLECULE
DB01972
38 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1     6.9969     0.7916     0.8211	P	1	noname	0.0149
2	O1     7.7178     1.0763     2.0347	O.2	1	noname	-0.1967
3	O2     5.7495    -0.0494     1.1503	O.3	1	noname	-0.1525
4	O3     6.5649     2.1130     0.1586	O.3	1	noname	-0.1645
5	O4     7.9053     0.0068    -0.1435	O.3	1	noname	-0.1645
6	C1     5.0387    -0.3302    -0.0465	C.3	1	noname	0.0914
7	C2     3.7994    -1.1658     0.2805	C.3	1	noname	0.1130
8	O5     2.9695    -0.4488     1.1617	O.3	1	noname	-0.3483
9	C3     2.9952    -1.4077    -0.9987	C.3	1	noname	0.1127
10	C4     1.6997    -1.0376     0.9382	C.3	1	noname	0.1590
11	O6     3.0976    -2.7742    -1.3708	O.3	1	noname	-0.3873
12	C5     1.5592    -1.0996    -0.5844	C.3	1	noname	0.1258
13	N1     0.6886    -0.3530     1.6823	N.3	1	noname	0.0264
14	O7     0.7203    -2.1892    -0.9384	O.3	1	noname	-0.3857
15	C6     0.7080    -0.1899     3.0244	C.2	1	noname	0.0402
16	C7    -0.4313     0.2843     1.2244	C.2	1	noname	-0.0199
17	N2     1.5820    -0.6240     3.9827	N.2	1	noname	-0.2033
18	C8    -0.4106     0.6016     3.3235	C.2	1	noname	0.0955
19	N3    -1.1074     0.8727     2.2257	N.2	1	noname	-0.1979
20	C9     1.3754    -0.2530     5.2899	C.2	1	noname	-0.0771
21	C10    -0.6127     0.9837     4.6638	C.2	1	noname	0.0884
22	N4     0.2934     0.5415     5.5833	N.3	1	noname	0.0507
23	N5     2.2105    -0.6572     6.2567	N.3	1	noname	-0.1233
24	O8    -1.5823     1.6985     4.9974	O.2	1	noname	-0.2752
25	H1     6.3541     2.7576     0.8380	H	1	noname	0.2283
26	H2     8.5231    -0.5269     0.3617	H	1	noname	0.2283
27	H3     4.7044     0.6377    -0.4200	H	1	noname	0.0605
28	H4     5.7107    -0.9435    -0.6468	H	1	noname	0.0605
29	H5     4.0772    -2.0881     0.7907	H	1	noname	0.0657
30	H6     3.3470    -0.8654    -1.8763	H	1	noname	0.0657
31	H7     1.6035    -2.0247     1.3905	H	1	noname	0.0853
32	H8     3.1384    -3.3187    -0.5812	H	1	noname	0.2106
33	H9     1.0868    -0.2442    -1.0675	H	1	noname	0.0674
34	H10     0.3936    -2.6135    -0.1416	H	1	noname	0.2107
35	H11    -0.7482     0.3193     0.1821	H	1	noname	0.1016
36	H12     0.1540     0.8206     6.5439	H	1	noname	0.1400
37	H13     3.1871    -0.8096     6.0493	H	1	noname	0.1268
38	H14     1.8633    -0.8096     7.1929	H	1	noname	0.1268
@<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	1
18	15	18	2
19	16	19	2
20	17	20	2
21	18	21	1
22	18	19	1
23	20	22	1
24	20	23	1
25	21	24	2
26	21	22	1
27	4	25	1
28	5	26	1
29	6	27	1
30	6	28	1
31	7	29	1
32	9	30	1
33	10	31	1
34	11	32	1
35	12	33	1
36	14	34	1
37	16	35	1
38	22	36	1
39	23	37	1
40	23	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1