@<TRIPOS>MOLECULE
59314058
28 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.5311     0.4566     0.8812	O.3	1	noname	-0.2047
2	O2    -1.0739     2.1433     0.3995	O.2	1	noname	-0.2540
3	C1     1.6294     0.1357    -0.0207	C.3	1	noname	0.0676
4	C2     1.2189    -0.9649    -1.0536	C.3	1	noname	-0.0256
5	C3    -0.0843    -0.5095    -1.7846	C.3	1	noname	-0.0415
6	C4     2.8312    -0.3503     0.7919	C.3	1	noname	-0.0226
7	C5    -1.2128     0.0190    -0.8565	C.3	1	noname	0.0338
8	C6     3.2710     0.7499     1.7599	C.3	1	noname	-0.0326
9	C7    -0.6144     1.0008     0.1846	C.2	1	noname	0.1409
10	C8     4.3943     0.2956     2.5193	C.2	1	noname	-0.0897
11	C9     4.9479     1.0923     3.4291	C.2	1	noname	-0.0906
12	C10     4.4199     2.4031     3.6478	C.3	1	noname	-0.0470
13	H1     1.8527     1.0395    -0.5875	H	1	noname	0.0609
14	H2     1.0331    -1.9030    -0.5305	H	1	noname	0.0293
15	H3     2.0229    -1.1684    -1.7608	H	1	noname	0.0293
16	H4    -0.4669    -1.3308    -2.3905	H	1	noname	0.0273
17	H5     0.2064     0.3361    -2.4080	H	1	noname	0.0273
18	H6     2.5524    -1.2404     1.3560	H	1	noname	0.0296
19	H7     3.6529    -0.5904     0.1172	H	1	noname	0.0296
20	H8    -1.9627     0.5365    -1.4548	H	1	noname	0.0372
21	H9    -1.5880    -0.8509    -0.3175	H	1	noname	0.0372
22	H10     2.4493     0.9900     2.4346	H	1	noname	0.0310
23	H11     3.5498     1.6400     1.1958	H	1	noname	0.0310
24	H12     4.7598    -0.6119     2.3679	H	1	noname	0.0572
25	H13     5.7256     0.7778     3.9549	H	1	noname	0.0569
26	H14     4.0921     2.4947     4.6833	H	1	noname	0.0273
27	H15     3.5728     2.5693     2.9824	H	1	noname	0.0273
28	H16     5.1926     3.1446     3.4445	H	1	noname	0.0273
@<TRIPOS>BOND
1	1	3	1
2	1	9	1
3	2	9	2
4	3	4	1
5	3	6	1
6	3	13	1
7	4	5	1
8	4	14	1
9	4	15	1
10	5	7	1
11	5	16	1
12	5	17	1
13	6	8	1
14	6	18	1
15	6	19	1
16	7	9	1
17	7	20	1
18	7	21	1
19	8	10	1
20	8	22	1
21	8	23	1
22	10	11	2
23	10	24	1
24	11	12	1
25	11	25	1
26	12	26	1
27	12	27	1
28	12	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1