@<TRIPOS>MOLECULE
DB02719
28 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.3169     0.4390     0.2313	O.3	1	noname	-0.3325
2	C1     1.3995    -0.1192    -0.5812	C.3	1	noname	0.2616
3	C2     0.1104     1.8867     0.3053	C.3	1	noname	0.1131
4	O2     1.8795    -1.3107     0.0239	O.3	1	noname	-0.3569
5	C3     0.8118    -0.3977    -1.8548	C.2	1	noname	0.0441
6	C4     2.5967     0.8304    -0.8787	C.3	1	noname	0.1445
7	C5     0.6918     2.7269    -0.8696	C.3	1	noname	0.1112
8	C6    -1.3836     2.1819     0.4529	C.3	1	noname	0.0723
9	O3    -0.1997    -1.2410    -1.9447	O.3	1	noname	-0.2496
10	N1     1.2649     0.1685    -2.9035	N.2	1	noname	-0.2202
11	O4     3.4423     0.8970     0.2601	O.3	1	noname	-0.3840
12	C7     2.1303     2.2687    -1.2653	C.3	1	noname	0.1143
13	O5     0.7159     4.0988    -0.5039	O.3	1	noname	-0.3874
14	O6    -1.8713     1.5729     1.6394	O.3	1	noname	-0.3934
15	O7     2.3256     2.4715    -2.6571	O.3	1	noname	-0.3873
16	H1     0.6827     2.1398     1.1978	H	1	noname	0.0657
17	H2     1.8435    -1.2215     0.9791	H	1	noname	0.2142
18	H3     3.2149     0.4105    -1.6722	H	1	noname	0.0691
19	H4     0.0279     2.6717    -1.7323	H	1	noname	0.0657
20	H5    -1.5023     3.2544     0.6066	H	1	noname	0.0591
21	H6    -1.9079     1.6871    -0.3646	H	1	noname	0.0591
22	H7    -0.4922    -1.4850    -1.0635	H	1	noname	0.2197
23	H8     1.5522    -0.5352    -3.5686	H	1	noname	0.1897
24	H9     3.6582     0.0080     0.5508	H	1	noname	0.2108
25	H10     2.8041     2.9429    -0.7366	H	1	noname	0.0658
26	H11     0.7173     4.1749     0.4531	H	1	noname	0.2106
27	H12    -1.8337     0.6180     1.5478	H	1	noname	0.2101
28	H13     2.3876     1.6214    -3.0988	H	1	noname	0.2106
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	1
5	2	6	1
6	3	7	1
7	3	8	1
8	5	9	1
9	5	10	2
10	6	11	1
11	6	12	1
12	7	13	1
13	7	12	1
14	8	14	1
15	12	15	1
16	3	16	1
17	4	17	1
18	6	18	1
19	7	19	1
20	8	20	1
21	8	21	1
22	9	22	1
23	10	23	1
24	11	24	1
25	12	25	1
26	13	26	1
27	14	27	1
28	15	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1