@<TRIPOS>MOLECULE
DB04713
23 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	I1     3.2071    -2.2800     0.0177	I	1	noname	-0.0443
2	C1     2.7059    -0.2958    -0.1019	C.2	1	noname	-0.0254
3	C2     3.4095     0.5487    -0.9527	C.2	1	noname	-0.0356
4	C3     1.6626     0.2051     0.6679	C.2	1	noname	-0.0356
5	C4     3.0697     1.8941    -1.0338	C.2	1	noname	-0.0488
6	C5     1.3227     1.5505     0.5868	C.2	1	noname	-0.0488
7	C6     2.0263     2.3950    -0.2640	C.2	1	noname	-0.0515
8	C7     1.6694     3.8081    -0.3491	C.3	1	noname	-0.0030
9	C8     2.4725     4.6002     0.6846	C.3	1	noname	0.0953
10	N1     2.1151     6.0152     0.5993	N.3	1	noname	-0.3191
11	C9     2.1692     4.1014     2.0228	C.2	1	noname	0.1438
12	O1     3.0818     3.6324     2.7367	O.2	1	noname	-0.2495
13	O2     0.9031     4.1466     2.4891	O.3	1	noname	-0.2139
14	H1     4.2277     0.1559    -1.5563	H	1	noname	0.0633
15	H2     1.1108    -0.4571     1.3351	H	1	noname	0.0633
16	H3     3.6214     2.5563    -1.7010	H	1	noname	0.0625
17	H4     0.5045     1.9433     1.1905	H	1	noname	0.0625
18	H5     1.9883     4.1388    -1.3376	H	1	noname	0.0337
19	H6     0.6184     3.8694    -0.0667	H	1	noname	0.0337
20	H7     3.5467     4.5090     0.5237	H	1	noname	0.0575
21	H8     2.8397     6.7182     0.5699	H	1	noname	0.1191
22	H9     1.1436     6.2898     0.5699	H	1	noname	0.1191
23	H10     0.9154     4.1462     3.4490	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	4	6	2
6	5	7	2
7	6	7	1
8	7	8	1
9	8	9	1
10	9	10	1
11	9	11	1
12	11	12	2
13	11	13	1
14	3	14	1
15	4	15	1
16	5	16	1
17	6	17	1
18	8	18	1
19	8	19	1
20	9	20	1
21	10	21	1
22	10	22	1
23	13	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1