@<TRIPOS>MOLECULE
DB01235
25 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -3.5132    -2.7082     0.4304	O.2	1	noname	-0.2495
2	C1    -2.2675    -2.6763     0.3316	C.2	1	noname	0.1438
3	O2    -1.6009    -3.7472    -0.1493	O.3	1	noname	-0.2139
4	C2    -1.5335    -1.4809     0.7363	C.3	1	noname	0.0953
5	N1    -0.5966    -1.8229     1.8052	N.3	1	noname	-0.3191
6	C3    -0.7600    -0.9273    -0.4621	C.3	1	noname	-0.0029
7	C4    -0.0260     0.2681    -0.0574	C.2	1	noname	-0.0574
8	C5     1.2704     0.1555     0.4315	C.2	1	noname	-0.0198
9	C6    -0.6234     1.5189    -0.1609	C.2	1	noname	-0.0599
10	C7     1.9692     1.2935     0.8168	C.2	1	noname	0.0231
11	C8     0.0754     2.6570     0.2244	C.2	1	noname	-0.0232
12	O3     3.2282     1.1841     1.2916	O.3	1	noname	-0.2761
13	C9     1.3717     2.5443     0.7133	C.2	1	noname	0.0219
14	O4     2.0505     3.6497     1.0875	O.3	1	noname	-0.2763
15	H1    -1.2726    -4.2748     0.5825	H	1	noname	0.2213
16	H2    -2.2500    -0.7590     1.1283	H	1	noname	0.0575
17	H3     0.3848    -1.9411     1.5979	H	1	noname	0.1191
18	H4    -0.9307    -1.9411     2.7510	H	1	noname	0.1191
19	H5    -0.0050    -1.6644    -0.7356	H	1	noname	0.0337
20	H6    -1.4901    -0.5952    -1.2002	H	1	noname	0.0337
21	H7     1.7389    -0.8254     0.5127	H	1	noname	0.0653
22	H8    -1.6399     1.6073    -0.5443	H	1	noname	0.0626
23	H9    -0.3931     3.6378     0.1432	H	1	noname	0.0651
24	H10     3.2095     1.1857     2.2514	H	1	noname	0.2183
25	H11     2.0801     3.6979     2.0458	H	1	noname	0.2183
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	6	7	1
7	7	8	2
8	7	9	1
9	8	10	1
10	9	11	2
11	10	12	1
12	10	13	2
13	11	13	1
14	13	14	1
15	3	15	1
16	4	16	1
17	5	17	1
18	5	18	1
19	6	19	1
20	6	20	1
21	8	21	1
22	9	22	1
23	11	23	1
24	12	24	1
25	14	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1