@<TRIPOS>MOLECULE
88274396
27 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.6809     3.5526     0.3180	O.3	1	noname	-0.2774
2	O2    -1.9624    -0.6297     2.3815	O.2	1	noname	-0.3052
3	C1    -0.7517    -1.3753    -0.7050	C.3	1	noname	-0.0187
4	C2    -1.2315    -1.9903     0.6113	C.3	1	noname	0.0158
5	C3    -0.1164    -0.0882    -0.4378	C.2	1	noname	-0.0657
6	C4    -1.8973    -3.3390     0.3313	C.3	1	noname	-0.0555
7	C5     1.2483    -0.0268    -0.1810	C.2	1	noname	-0.0474
8	C6    -0.8762     1.0757    -0.4402	C.2	1	noname	-0.0474
9	C7    -2.1947    -1.0942     1.2445	C.2	1	noname	0.1251
10	C8     1.8532     1.1985     0.0734	C.2	1	noname	-0.0296
11	C9    -0.2713     2.3011    -0.1858	C.2	1	noname	-0.0296
12	C10     1.0934     2.3625     0.0710	C.2	1	noname	-0.0003
13	C11     1.6476     3.8164     1.7129	C.3	1	noname	0.0423
14	H1    -1.6034    -1.2291    -1.3694	H	1	noname	0.0323
15	H2    -0.0327    -2.0443    -1.1778	H	1	noname	0.0323
16	H3    -0.3799    -2.1364     1.2757	H	1	noname	0.0380
17	H4    -2.2391    -3.7771     1.2690	H	1	noname	0.0237
18	H5    -2.7489    -3.1929    -0.3332	H	1	noname	0.0237
19	H6    -1.1783    -4.0080    -0.1415	H	1	noname	0.0237
20	H7     1.8058    -0.8810    -0.1792	H	1	noname	0.0626
21	H8    -1.8776     1.0307    -0.6287	H	1	noname	0.0626
22	H9    -3.0571    -0.8472     0.7591	H	1	noname	0.1044
23	H10     2.8546     1.2436     0.2619	H	1	noname	0.0650
24	H11    -0.8289     3.1552    -0.1876	H	1	noname	0.0650
25	H12     2.1219     4.7772     1.9124	H	1	noname	0.0535
26	H13     0.6123     3.8447     2.0527	H	1	noname	0.0535
27	H14     2.1829     3.0296     2.2444	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