@<TRIPOS>MOLECULE
DB02818
23 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	I1    -1.1895    -1.5885     0.2895	I	1	noname	-0.0378
2	C1    -0.0369     0.0940     0.0816	C.2	1	noname	0.0707
3	C2     1.3878     0.0619     0.1371	C.2	1	noname	0.0807
4	C3    -0.5967     1.3884    -0.1298	C.2	1	noname	-0.0223
5	O1     1.9663    -1.0310     0.3194	O.2	1	noname	-0.2820
6	N1     2.1397     1.2024    -0.0049	N.3	1	noname	0.0832
7	N2     0.1956     2.5020    -0.2664	N.3	1	noname	0.0296
8	C4     1.5743     2.4458    -0.2090	C.2	1	noname	0.0254
9	C5    -0.4231     3.7520    -0.4734	C.3	1	noname	0.0364
10	O2     2.2771     3.4717    -0.3358	O.2	1	noname	-0.2814
11	C6    -0.6976     4.4152     0.8778	C.3	1	noname	0.1050
12	N3    -1.3391     5.7113     0.6632	N.3	1	noname	-0.3183
13	C7     0.5621     4.6077     1.5904	C.2	1	noname	0.1443
14	O3     0.7387     4.0689     2.7044	O.2	1	noname	-0.2492
15	O4     1.5361     5.3675     1.0461	O.3	1	noname	-0.2137
16	H1    -1.6755     1.5327    -0.1896	H	1	noname	0.0769
17	H2     3.1456     1.1240     0.0425	H	1	noname	0.1418
18	H3     0.3142     4.3545    -1.0040	H	1	noname	0.0462
19	H4    -1.3810     3.5258    -0.9417	H	1	noname	0.0462
20	H5    -1.3527     3.8094     1.5040	H	1	noname	0.0585
21	H6    -0.7768     6.5469     0.5891	H	1	noname	0.1192
22	H7    -2.3446     5.7709     0.5891	H	1	noname	0.1192
23	H8     2.0548     5.7721     1.7453	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	2	4	2
4	3	5	2
5	3	6	1
6	4	7	1
7	6	8	1
8	7	9	1
9	7	8	1
10	8	10	2
11	9	11	1
12	11	12	1
13	11	13	1
14	13	14	2
15	13	15	1
16	4	16	1
17	6	17	1
18	9	18	1
19	9	19	1
20	11	20	1
21	12	21	1
22	12	22	1
23	15	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1