@<TRIPOS>MOLECULE
76972744
24 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.6147    -2.1355     1.4349	O.3	1	noname	-0.3909
2	O2    -1.5964    -2.7120    -0.4404	O.3	1	noname	-0.3879
3	O3     2.5540    -0.2692     0.7859	O.3	1	noname	-1.0400
4	O4     3.3540     0.3632    -1.7804	O.3	1	noname	-0.3832
5	O5    -0.3696    -4.4249    -2.1779	O.3	1	noname	-0.3934
6	O6     1.1966     0.0275    -3.9245	O.3	1	noname	-0.2108
7	O7     1.9361    -1.9175    -3.2041	O.2	1	noname	-0.2454
8	C1     0.5412    -1.4837     0.1560	C.3	1	noname	0.0850
9	C2     1.9754    -1.0006    -0.3047	C.3	1	noname	0.0926
10	C3    -0.2578    -2.3918    -0.8672	C.3	1	noname	0.1024
11	C4     2.0359    -0.1256    -1.6017	C.3	1	noname	0.1417
12	C5     0.3753    -3.7693    -1.1622	C.3	1	noname	0.0717
13	C6     1.7067    -0.7309    -2.9226	C.2	1	noname	0.1496
14	H1    -0.0523    -0.5722     0.3371	H	1	noname	0.0621
15	H2     2.6393    -1.8599    -0.4216	H	1	noname	0.0295
16	H3    -0.3457    -1.8559    -1.8080	H	1	noname	0.0651
17	H4     1.3989     0.7401    -1.4316	H	1	noname	0.0703
18	H5     0.3656    -4.3751    -0.2561	H	1	noname	0.0591
19	H6     1.4036    -3.6324    -1.4967	H	1	noname	0.0591
20	H7     1.2069    -2.9137     1.3713	H	1	noname	0.2105
21	H8    -2.1091    -1.8848    -0.3247	H	1	noname	0.2106
22	H9     3.9734    -0.3914    -1.8661	H	1	noname	0.2111
23	H10     0.0321    -5.2989    -2.3651	H	1	noname	0.2101
24	H11     0.6360    -0.3848    -4.6145	H	1	noname	0.2214
@<TRIPOS>BOND
1	8	1	1
2	1	20	1
3	10	2	1
4	2	21	1
5	9	3	1
6	11	4	1
7	4	22	1
8	5	12	1
9	5	23	1
10	6	13	1
11	6	24	1
12	7	13	2
13	8	9	1
14	8	10	1
15	8	14	1
16	9	11	1
17	9	15	1
18	10	12	1
19	10	16	1
20	11	13	1
21	11	17	1
22	12	18	1
23	12	19	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1