@<TRIPOS>MOLECULE
118855872
25 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.3683     1.8371     0.9245	O.2	1	noname	-0.2961
2	O2     2.1060     3.7675    -0.2812	O.3	1	noname	-0.2169
3	O3     0.8477     3.2206     1.5048	O.2	1	noname	-0.2534
4	C1     1.0367    -0.7330     0.0756	C.3	1	noname	-0.0464
5	C2     1.2200    -2.2155     0.4064	C.3	1	noname	-0.0531
6	C3    -0.2207    -0.2070     0.7708	C.3	1	noname	0.0066
7	C4     2.4774    -2.7414    -0.2888	C.3	1	noname	-0.0561
8	C5    -0.3957     1.2077     0.4552	C.2	1	noname	0.1396
9	C6     2.6607    -4.2240     0.0420	C.3	1	noname	-0.0654
10	C7     0.5655     1.8872    -0.4086	C.3	1	noname	0.0922
11	C8     1.1796     2.9923     0.3216	C.2	1	noname	0.1385
12	H1     0.9335    -0.6113    -1.0026	H	1	noname	0.0271
13	H2     1.9050    -0.1731     0.4230	H	1	noname	0.0271
14	H3     0.3517    -2.7754     0.0590	H	1	noname	0.0266
15	H4     1.3231    -2.3372     1.4847	H	1	noname	0.0266
16	H5    -1.0891    -0.7669     0.4234	H	1	noname	0.0346
17	H6    -0.1176    -0.3287     1.8491	H	1	noname	0.0346
18	H7     2.3743    -2.6198    -1.3670	H	1	noname	0.0264
19	H8     3.3457    -2.1816     0.0586	H	1	noname	0.0264
20	H9     3.5565    -4.5987    -0.4532	H	1	noname	0.0230
21	H10     1.7924    -4.7838    -0.3054	H	1	noname	0.0230
22	H11     2.7639    -4.3456     1.1203	H	1	noname	0.0230
23	H12     0.0525     2.2740    -1.2892	H	1	noname	0.0453
24	H13     1.3374     1.1826    -0.7181	H	1	noname	0.0453
25	H14     2.8144     4.1874     0.2500	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	8	2
2	2	11	1
3	2	25	1
4	3	11	2
5	4	5	1
6	4	6	1
7	4	12	1
8	4	13	1
9	5	7	1
10	5	14	1
11	5	15	1
12	6	8	1
13	6	16	1
14	6	17	1
15	7	9	1
16	7	18	1
17	7	19	1
18	8	10	1
19	9	20	1
20	9	21	1
21	9	22	1
22	10	11	1
23	10	23	1
24	10	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1