@<TRIPOS>MOLECULE
DB03631
25 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.4243    -0.5325     1.2249	O.2	1	noname	-0.2978
2	C1     0.0886     0.3695     0.5277	C.2	1	noname	0.0868
3	C2    -0.6539     1.5005    -0.0359	C.2	1	noname	0.0471
4	C3     1.5086     0.4301     0.1701	C.2	1	noname	0.0704
5	C4    -0.0992     2.4724    -0.7880	C.2	1	noname	0.0213
6	C5    -2.0570     1.5782     0.2290	C.3	1	noname	0.0009
7	C6     2.0603     1.4036    -0.5820	C.2	1	noname	0.0130
8	C7     1.3169     2.5295    -1.1424	C.2	1	noname	0.0195
9	C8    -2.2899     2.3749     1.5143	C.3	1	noname	0.0954
10	O2     3.3554     1.3351    -0.8278	O.3	1	noname	-0.2794
11	N1     1.8400     3.4493    -1.8537	N.2	1	noname	-0.2635
12	N2    -3.7244     2.4544     1.7851	N.3	1	noname	-0.3191
13	C9    -1.7490     3.7218     1.3568	C.2	1	noname	0.1439
14	O3    -0.8493     4.1276     2.1239	O.2	1	noname	-0.2495
15	O4    -2.2206     4.5290     0.3828	O.3	1	noname	-0.2139
16	H1     2.2255    -0.3237     0.4959	H	1	noname	0.0692
17	H2    -0.8117     3.2289    -1.1169	H	1	noname	0.0650
18	H3    -2.4805     2.1463    -0.5993	H	1	noname	0.0339
19	H4    -2.3789     0.5522     0.4072	H	1	noname	0.0339
20	H5    -1.8052     1.9128     2.3743	H	1	noname	0.0575
21	H6     3.8377     1.3096     0.0019	H	1	noname	0.2182
22	H7     2.2408     4.1540    -1.2512	H	1	noname	0.1877
23	H8    -4.1715     3.3552     1.8787	H	1	noname	0.1191
24	H9    -4.2683     1.6085     1.8787	H	1	noname	0.1191
25	H10    -2.5681     3.9948    -0.3351	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	2
5	3	6	1
6	4	7	2
7	5	8	1
8	6	9	1
9	7	10	1
10	7	8	1
11	8	11	2
12	9	12	1
13	9	13	1
14	13	14	2
15	13	15	1
16	4	16	1
17	5	17	1
18	6	18	1
19	6	19	1
20	9	20	1
21	10	21	1
22	11	22	1
23	12	23	1
24	12	24	1
25	15	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1