@<TRIPOS>MOLECULE
DB02810
23 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.7316    -1.1777     0.9804	O.2	1	noname	-0.2507
2	C1     1.9995    -1.0140    -0.0194	C.2	1	noname	0.1422
3	O2     1.9434    -1.9633    -0.9776	O.3	1	noname	-0.2148
4	C2     1.2050     0.2038    -0.1510	C.3	1	noname	0.0857
5	N1    -0.2132    -0.1446    -0.2203	N.3	1	noname	-0.2757
6	C3    -1.0087     1.0749    -0.3521	C.3	1	noname	0.0857
7	C4    -0.4471    -1.0065    -1.3778	C.3	1	noname	0.0731
8	C5    -0.7750     1.9356     0.8038	C.2	1	noname	0.1422
9	C6    -1.8634    -1.3545    -1.4471	C.2	1	noname	0.0396
10	O3    -1.7275     2.2561     1.5472	O.2	1	noname	-0.2507
11	O4     0.4697     2.3854     1.0698	O.3	1	noname	-0.2148
12	O5    -2.2161    -2.5524    -1.3915	O.2	1	noname	-0.2935
13	N2    -2.7851    -0.3897    -1.5704	N.3	1	noname	-0.0863
14	H1     1.9673    -2.8319    -0.5694	H	1	noname	0.2213
15	H2     1.3454     0.7715     0.7689	H	1	noname	0.0539
16	H3     1.4677     0.6482    -1.1110	H	1	noname	0.0539
17	H4    -0.6268     1.6077    -1.2229	H	1	noname	0.0539
18	H5    -2.0556     0.7739    -0.3132	H	1	noname	0.0539
19	H6    -0.2261    -0.4112    -2.2638	H	1	noname	0.0527
20	H7     0.0957    -1.9339    -1.1950	H	1	noname	0.0527
21	H8     0.5971     2.4314     2.0202	H	1	noname	0.2213
22	H9    -2.5000     0.5782    -1.6168	H	1	noname	0.1271
23	H10    -3.7649    -0.6303    -1.6168	H	1	noname	0.1271
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	5	6	1
6	5	7	1
7	6	8	1
8	7	9	1
9	8	10	2
10	8	11	1
11	9	12	2
12	9	13	1
13	3	14	1
14	4	15	1
15	4	16	1
16	6	17	1
17	6	18	1
18	7	19	1
19	7	20	1
20	11	21	1
21	13	22	1
22	13	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1