@<TRIPOS>MOLECULE
91663271
26 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -4.1333    -1.1834    -3.6001	O.3	1	noname	-0.3874
2	O2    -6.1152     0.8825    -3.6586	O.3	1	noname	-0.3874
3	O3    -1.9529    -0.9835    -1.6825	O.3	1	noname	-0.3878
4	O4    -4.8238     2.6057    -5.4325	O.3	1	noname	-0.3878
5	O5    -0.9506     1.8438    -1.4958	O.3	1	noname	-0.3934
6	O6    -1.6250     1.1390    -5.2223	O.3	1	noname	-0.3934
7	C1    -4.7198     1.1596    -3.4702	C.3	1	noname	0.1107
8	C2    -4.0629    -0.0588    -2.7146	C.3	1	noname	0.1107
9	C3    -4.0782     1.5419    -4.8725	C.3	1	noname	0.1056
10	C4    -2.5772     0.1538    -2.2615	C.3	1	noname	0.1056
11	C5    -2.3191     1.4423    -1.4413	C.3	1	noname	0.0718
12	C6    -2.6441     2.1104    -4.9697	C.3	1	noname	0.0718
13	H1    -4.7282     2.0468    -2.8310	H	1	noname	0.0657
14	H2    -4.7000    -0.3267    -1.8537	H	1	noname	0.0657
15	H3    -4.1702     0.6824    -5.5340	H	1	noname	0.0652
16	H4    -2.0089     0.2175    -3.1588	H	1	noname	0.0652
17	H5    -2.6102     2.8812    -5.7396	H	1	noname	0.0591
18	H6    -2.4271     2.6197    -4.0307	H	1	noname	0.0591
19	H7    -2.9491     2.2468    -1.8207	H	1	noname	0.0591
20	H8    -2.6205     1.2654    -0.4089	H	1	noname	0.0591
21	H9    -6.5446     0.7601    -2.7862	H	1	noname	0.2106
22	H10    -3.7335    -1.9661    -3.1665	H	1	noname	0.2106
23	H11    -5.7539     2.3230    -5.5564	H	1	noname	0.2106
24	H12    -2.4511    -1.2591    -0.8849	H	1	noname	0.2106
25	H13    -0.8282     2.6595    -0.9667	H	1	noname	0.2101
26	H14    -0.7533     1.5844    -5.2681	H	1	noname	0.2101
@<TRIPOS>BOND
1	1	8	1
2	1	22	1
3	2	7	1
4	2	21	1
5	3	10	1
6	3	24	1
7	4	9	1
8	4	23	1
9	5	11	1
10	5	25	1
11	6	12	1
12	6	26	1
13	7	8	1
14	7	9	1
15	7	13	1
16	8	10	1
17	8	14	1
18	9	12	1
19	9	15	1
20	10	11	1
21	10	16	1
22	11	19	1
23	11	20	1
24	12	17	1
25	12	18	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1