@<TRIPOS>MOLECULE
87443663
26 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -5.3149    -0.7341    -0.6488	O.2	1	noname	-0.3066
2	C1    -0.7653    -1.2603     0.2757	C.3	1	noname	-0.0186
3	C2    -2.2231    -1.7163     0.3636	C.3	1	noname	-0.0400
4	C3    -0.7086     0.1982     0.3123	C.2	1	noname	-0.0537
5	C4     0.0197    -1.8310     1.4585	C.3	1	noname	-0.0584
6	C5    -3.0082    -1.1456    -0.8192	C.3	1	noname	0.0036
7	C6    -1.6794     0.9144     1.0026	C.2	1	noname	-0.0564
8	C7     0.3163     0.8704    -0.3433	C.2	1	noname	-0.0564
9	C8    -1.6254     2.3029     1.0374	C.2	1	noname	-0.0603
10	C9     0.3703     2.2590    -0.3085	C.2	1	noname	-0.0603
11	C10    -4.3993    -1.5807    -0.7354	C.2	1	noname	0.1230
12	C11    -0.6005     2.9752     0.3818	C.2	1	noname	-0.0616
13	H1    -0.3284    -1.6176    -0.6567	H	1	noname	0.0349
14	H2    -2.6601    -1.3589     1.2960	H	1	noname	0.0277
15	H3    -2.2655    -2.8051     0.3363	H	1	noname	0.0277
16	H4     1.0583    -1.5061     1.3959	H	1	noname	0.0236
17	H5    -0.4172    -1.4736     2.3909	H	1	noname	0.0236
18	H6    -0.0227    -2.9198     1.4312	H	1	noname	0.0236
19	H7    -2.9658    -0.0567    -0.7919	H	1	noname	0.0343
20	H8    -2.5713    -1.5029    -1.7516	H	1	noname	0.0343
21	H9    -2.4315     0.4211     1.4836	H	1	noname	0.0625
22	H10     1.0287     0.3449    -0.8499	H	1	noname	0.0625
23	H11    -2.3378     2.8285     1.5440	H	1	noname	0.0622
24	H12     1.1224     2.7523    -0.7896	H	1	noname	0.0622
25	H13    -4.6241    -2.5756    -0.7474	H	1	noname	0.1041
26	H14    -0.5608     3.9941     0.4074	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	11	2
2	2	3	1
3	2	4	1
4	2	5	1
5	2	13	1
6	3	6	1
7	3	14	1
8	3	15	1
9	4	7	2
10	4	8	1
11	5	16	1
12	5	17	1
13	5	18	1
14	6	11	1
15	6	19	1
16	6	20	1
17	7	9	1
18	7	21	1
19	8	10	2
20	8	22	1
21	9	12	2
22	9	23	1
23	10	12	1
24	10	24	1
25	11	25	1
26	12	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1