@<TRIPOS>MOLECULE
DB04627
26 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.8102    -1.4269    -4.0202	O.2	1	noname	-0.2587
2	C1    -0.9440    -0.9015    -2.8939	C.2	1	noname	0.1338
3	N1    -0.1287    -1.1566    -1.8615	N.2	1	noname	-0.1281
4	C2    -2.0451     0.0871    -2.5617	C.2	1	noname	0.0658
5	C3     0.0351    -0.2425    -0.8954	C.2	1	noname	0.0128
6	C4    -1.8919     0.9554    -1.3638	C.2	1	noname	-0.0397
7	O2     1.0947    -0.2553    -0.0490	O.3	1	noname	-0.2280
8	N2    -0.6141     0.9224    -0.9615	N.3	1	noname	0.0249
9	C5     1.1315     1.0612     0.4954	C.3	1	noname	0.1358
10	C6    -0.0210     1.8663    -0.1159	C.3	1	noname	0.1512
11	C7     2.4630     1.7242     0.1371	C.3	1	noname	0.1133
12	O3     0.5057     2.9324    -0.8920	O.3	1	noname	-0.3509
13	O4     3.0867     2.2031     1.3195	O.3	1	noname	-0.3873
14	C8     2.0088     2.9428    -0.7461	C.3	1	noname	0.1114
15	C9     2.6561     2.8400    -2.1286	C.3	1	noname	0.0722
16	O5     2.2457     3.9407    -2.9264	O.3	1	noname	-0.3934
17	H1    -2.9394     0.1728    -3.1789	H	1	noname	0.0691
18	H2    -2.6364     1.5522    -0.8370	H	1	noname	0.0759
19	H3     1.0302     0.9532     1.5753	H	1	noname	0.0681
20	H4    -0.7460     2.3221     0.5586	H	1	noname	0.0816
21	H5     3.2130     1.0567    -0.2873	H	1	noname	0.0658
22	H6     3.3697     1.4590     1.8559	H	1	noname	0.2106
23	H7     2.2941     3.8895    -0.2874	H	1	noname	0.0656
24	H8     3.7331     2.9549    -2.0065	H	1	noname	0.0591
25	H9     2.2550     1.9560    -2.6244	H	1	noname	0.0591
26	H10     1.9756     4.6652    -2.3575	H	1	noname	0.2101
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	2
5	4	6	2
6	5	7	1
7	5	8	1
8	6	8	1
9	9	7	1
10	8	10	1
11	9	11	1
12	9	10	1
13	10	12	1
14	11	13	1
15	11	14	1
16	12	14	1
17	14	15	1
18	15	16	1
19	4	17	1
20	6	18	1
21	9	19	1
22	10	20	1
23	11	21	1
24	13	22	1
25	14	23	1
26	15	24	1
27	15	25	1
28	16	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1