@<TRIPOS>MOLECULE
DB04472
23 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.2729    -1.2021     0.6676	O.2	1	noname	-0.1448
2	N1    -1.0098    -0.6724    -0.3361	N.2	1	noname	-0.0156
3	O2    -1.7352    -0.8543    -1.3564	O.3	1	noname	-0.1448
4	C1     0.0332     0.1087    -0.4078	C.2	1	noname	0.0353
5	C2     1.1388    -0.1324     0.3993	C.2	1	noname	0.0297
6	C3     0.0385     1.1817    -1.2914	C.2	1	noname	0.0297
7	C4     2.2498     0.6995     0.3229	C.2	1	noname	-0.0207
8	C5     1.1494     2.0136    -1.3678	C.2	1	noname	-0.0207
9	C6     2.2550     1.7725    -0.5606	C.2	1	noname	-0.0083
10	C7     3.4219     2.6463    -0.6409	C.3	1	noname	0.0948
11	O3     3.2777     3.7147     0.2834	O.3	1	noname	-0.3873
12	C8     4.6820     1.8467    -0.3035	C.3	1	noname	0.1096
13	N2     5.7809     2.6697    -0.3791	N.2	1	noname	-0.0885
14	N3     6.8391     2.2470    -0.1564	N.1	1	noname	0.0062
15	N4     7.8972     1.8244     0.0664	N.2	1	noname	-0.1019
16	H1     1.1347    -0.9739     1.0922	H	1	noname	0.0647
17	H2    -0.8286     1.3708    -1.9243	H	1	noname	0.0647
18	H3     3.1168     0.5104     0.9559	H	1	noname	0.0627
19	H4     1.1535     2.8551    -2.0607	H	1	noname	0.0627
20	H5     3.4597     3.0941    -1.6339	H	1	noname	0.0661
21	H6     3.3240     3.3716     1.1788	H	1	noname	0.2109
22	H7     4.6308     1.5428     0.7420	H	1	noname	0.0478
23	H8     4.8376     1.0993    -1.0815	H	1	noname	0.0478
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	2
5	4	6	1
6	5	7	1
7	6	8	2
8	7	9	2
9	8	9	1
10	9	10	1
11	10	11	1
12	10	12	1
13	12	13	1
14	13	14	2
15	14	15	2
16	5	16	1
17	6	17	1
18	7	18	1
19	8	19	1
20	10	20	1
21	11	21	1
22	12	22	1
23	12	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1