@<TRIPOS>MOLECULE
91810631
27 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.2085     3.2982     0.2126	O.3	1	noname	-0.2774
2	O2    -1.8119    -4.2073     0.8931	O.2	1	noname	-0.3052
3	C1    -0.9307    -1.2465    -0.6475	C.3	1	noname	-0.0187
4	C2    -1.3311    -1.8521     0.6993	C.3	1	noname	0.0158
5	C3    -0.1108    -0.0595    -0.4229	C.2	1	noname	-0.0657
6	C4    -2.0941    -0.8716     1.4662	C.3	1	noname	-0.0555
7	C5    -0.7120     1.1881    -0.3038	C.2	1	noname	-0.0474
8	C6     1.2710    -0.1770    -0.3280	C.2	1	noname	-0.0474
9	C7    -2.1903    -3.0960     0.4639	C.2	1	noname	0.1251
10	C8     0.0686     2.3182    -0.0899	C.2	1	noname	-0.0296
11	C9     2.0516     0.9530    -0.1142	C.2	1	noname	-0.0296
12	C10     1.4504     2.2006     0.0049	C.2	1	noname	-0.0003
13	C11     2.3685     3.5058     1.6082	C.3	1	noname	0.0423
14	H1    -1.8271    -0.9692    -1.2021	H	1	noname	0.0323
15	H2    -0.3611    -1.9785    -1.2200	H	1	noname	0.0323
16	H3    -0.4347    -2.1293     1.2539	H	1	noname	0.0380
17	H4    -2.3794    -1.3030     2.4256	H	1	noname	0.0237
18	H5    -2.9905    -0.5943     0.9115	H	1	noname	0.0237
19	H6    -1.4820     0.0146     1.6339	H	1	noname	0.0237
20	H7    -1.7259     1.2743    -0.3734	H	1	noname	0.0626
21	H8     1.7122    -1.0925    -0.4154	H	1	noname	0.0626
22	H9    -3.0719    -3.0184    -0.0433	H	1	noname	0.1044
23	H10    -0.3726     3.2337    -0.0026	H	1	noname	0.0650
24	H11     3.0655     0.8668    -0.0446	H	1	noname	0.0650
25	H12     2.9806     4.3919     1.7759	H	1	noname	0.0535
26	H13     1.3908     3.6470     2.0689	H	1	noname	0.0535
27	H14     2.8568     2.6377     2.0510	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	12	1
2	1	13	1
3	2	9	2
4	3	4	1
5	3	5	1
6	3	14	1
7	3	15	1
8	4	6	1
9	4	9	1
10	4	16	1
11	5	7	2
12	5	8	1
13	6	17	1
14	6	18	1
15	6	19	1
16	7	10	1
17	7	20	1
18	8	11	2
19	8	21	1
20	9	22	1
21	10	12	2
22	10	23	1
23	11	12	1
24	11	24	1
25	13	25	1
26	13	26	1
27	13	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1