@<TRIPOS>MOLECULE
DB01750
24 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.0705    -1.5714     0.9337	O.2	1	noname	-0.2544
2	C1     3.5175    -0.8935     0.0408	C.2	1	noname	0.1371
3	O2     4.1196     0.2179    -0.4333	O.3	1	noname	-0.2177
4	C2     2.2205    -1.3038    -0.4894	C.3	1	noname	0.0592
5	C3     1.2423    -0.2455    -0.2554	C.2	1	noname	-0.0365
6	C4     0.4981    -0.2343     0.9186	C.2	1	noname	-0.0349
7	C5     1.0552     0.7507    -1.2064	C.2	1	noname	-0.0493
8	C6    -0.4333     0.7732     1.1414	C.2	1	noname	-0.0391
9	C7     0.6852    -1.2306     1.8696	C.2	1	noname	-0.0456
10	C8     0.1238     1.7582    -0.9836	C.2	1	noname	-0.0546
11	C9    -0.6204     1.7694     0.1903	C.2	1	noname	-0.0470
12	C10    -1.1775     0.7844     2.3153	C.2	1	noname	-0.0473
13	C11    -0.0590    -1.2194     3.0436	C.2	1	noname	-0.0566
14	C12    -0.9904    -0.2119     3.2664	C.2	1	noname	-0.0569
15	H1     4.4137     0.7608     0.3018	H	1	noname	0.2213
16	H2     2.3359    -1.3923    -1.5697	H	1	noname	0.0422
17	H3     1.8991    -2.1647     0.0967	H	1	noname	0.0422
18	H4     1.6388     0.7419    -2.1270	H	1	noname	0.0625
19	H5     1.4155    -2.0206     1.6949	H	1	noname	0.0629
20	H6    -0.0229     2.5395    -1.7294	H	1	noname	0.0622
21	H7    -1.3507     2.5595     0.3651	H	1	noname	0.0629
22	H8    -1.9078     1.5744     2.4901	H	1	noname	0.0629
23	H9     0.0877    -2.0006     3.7894	H	1	noname	0.0622
24	H10    -1.5740    -0.2031     4.1870	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	5	6	1
6	5	7	2
7	6	8	1
8	6	9	2
9	7	10	1
10	8	11	1
11	8	12	2
12	9	13	1
13	10	11	2
14	12	14	1
15	13	14	2
16	3	15	1
17	4	16	1
18	4	17	1
19	7	18	1
20	9	19	1
21	10	20	1
22	11	21	1
23	12	22	1
24	13	23	1
25	14	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1