@<TRIPOS>MOLECULE
91667835
20 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.2493     3.1639     0.1285	O.3	1	noname	-0.1864
2	O2     2.7868     1.5619    -2.1308	O.3	1	noname	-0.3874
3	O3     1.8446     0.2245     2.0306	O.3	1	noname	-0.2703
4	O4     1.9317    -1.1199    -2.0730	O.3	1	noname	-0.3934
5	O5    -0.1780     2.1894     2.4934	O.3	1	noname	-0.2509
6	O6     0.0645     4.1741     0.2770	O.2	1	noname	-0.2407
7	C1     2.5090     1.7617     0.2542	C.3	1	noname	0.1444
8	C2     2.0656     1.0444    -1.0224	C.3	1	noname	0.1102
9	C3     1.6907     1.3414     1.3442	C.2	1	noname	0.0575
10	C4     2.3432    -0.4542    -0.8881	C.3	1	noname	0.0722
11	C5     0.7512     2.2515     1.5579	C.2	1	noname	0.0943
12	C6     0.9073     3.3129     0.6097	C.2	1	noname	0.1381
13	H1     3.5649     1.5390     0.4075	H	1	noname	0.0712
14	H2     0.9985     1.2039    -1.1768	H	1	noname	0.0656
15	H3     1.7896    -0.8514    -0.0373	H	1	noname	0.0591
16	H4     3.4104    -0.6136    -0.7337	H	1	noname	0.0591
17	H5     2.6090     2.5218    -2.2169	H	1	noname	0.2106
18	H6     1.1554     0.1703     2.7252	H	1	noname	0.2179
19	H7     2.1095    -2.0798    -1.9869	H	1	noname	0.2101
20	H8    -0.7484     2.9846     2.4406	H	1	noname	0.2185
@<TRIPOS>BOND
1	1	7	1
2	1	12	1
3	8	2	1
4	2	17	1
5	3	9	1
6	3	18	1
7	4	10	1
8	4	19	1
9	5	11	1
10	5	20	1
11	6	12	2
12	7	8	1
13	7	9	1
14	7	13	1
15	8	10	1
16	8	14	1
17	9	11	2
18	10	15	1
19	10	16	1
20	11	12	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1