@<TRIPOS>MOLECULE
DB02399
25 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.4099     1.0022    -3.2066	O.3	1	noname	-0.3874
2	C1     0.4425     0.7523    -2.0988	C.3	1	noname	0.1106
3	C2    -0.3437     0.0296    -1.0031	C.3	1	noname	0.1081
4	C3     0.9736     2.0798    -1.5542	C.3	1	noname	0.1056
5	O2    -0.8366    -1.2025    -1.5086	O.3	1	noname	-0.3875
6	C4     0.5748    -0.2398     0.1905	C.3	1	noname	0.0798
7	O3     1.7033     2.7505    -2.5710	O.3	1	noname	-0.3878
8	C5    -0.2000     2.9539    -1.1076	C.3	1	noname	0.0718
9	O4    -0.1550    -0.9105     1.2074	O.3	1	noname	-0.3905
10	C6     1.7484    -1.1139    -0.2560	C.3	1	noname	-0.0363
11	O5     0.2929     4.1860    -0.6022	O.3	1	noname	-0.3934
12	H1    -0.6991     0.1676    -3.5825	H	1	noname	0.2106
13	H2     1.2491     0.1299    -2.4864	H	1	noname	0.0657
14	H3    -1.2261     0.5966    -0.7065	H	1	noname	0.0655
15	H4     1.6836     1.9215    -0.7424	H	1	noname	0.0652
16	H5    -1.0673    -1.7793    -0.7767	H	1	noname	0.2106
17	H6     0.9203     0.6890     0.6444	H	1	noname	0.0625
18	H7     2.1171     2.1039    -3.1475	H	1	noname	0.2106
19	H8    -0.7825     3.2143    -1.9913	H	1	noname	0.0591
20	H9    -0.6826     2.4647    -0.2615	H	1	noname	0.0591
21	H10    -0.0701    -1.8594     1.0892	H	1	noname	0.2105
22	H11     2.2677    -1.5006     0.6208	H	1	noname	0.0257
23	H12     1.3752    -1.9456    -0.8536	H	1	noname	0.0257
24	H13     2.4384    -0.5181    -0.8536	H	1	noname	0.0257
25	H14     0.2843     4.1645     0.3576	H	1	noname	0.2101
@<TRIPOS>BOND
1	2	1	1
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	1
7	4	8	1
8	6	9	1
9	6	10	1
10	8	11	1
11	1	12	1
12	2	13	1
13	3	14	1
14	4	15	1
15	5	16	1
16	6	17	1
17	7	18	1
18	8	19	1
19	8	20	1
20	9	21	1
21	10	22	1
22	10	23	1
23	10	24	1
24	11	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1