@<TRIPOS>MOLECULE
71587287
26 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.4803     0.3134    -0.0988	O.3	1	noname	-0.2052
2	O2    -2.2380    -1.6632    -2.3705	O.3	1	noname	-0.2081
3	O3    -2.3983    -0.9536    -0.2390	O.2	1	noname	-0.2526
4	O4     3.2763     0.9356     1.1093	O.2	1	noname	-0.2551
5	C1    -0.2342    -1.0129    -1.1512	C.3	1	noname	0.0688
6	C2     0.0750     0.1236    -0.1746	C.3	1	noname	0.0763
7	C3     0.4287    -2.3015    -0.6603	C.3	1	noname	-0.0506
8	C4    -0.5879     1.4123    -0.6654	C.3	1	noname	-0.0372
9	C5    -1.6790    -1.2080    -1.2291	C.2	1	noname	0.1418
10	C6     2.0393     0.7686     1.0426	C.2	1	noname	0.1394
11	C7     1.1991     1.0657     2.1990	C.3	1	noname	0.0220
12	C8    -3.5618    -1.2812    -2.7142	C.3	1	noname	0.0453
13	H1     0.1520    -0.7589    -2.1383	H	1	noname	0.0433
14	H2    -0.3111    -0.1304     0.8125	H	1	noname	0.0615
15	H3     0.2085    -3.1112    -1.3560	H	1	noname	0.0239
16	H4     0.0426    -2.5555     0.3268	H	1	noname	0.0239
17	H5     1.5074    -2.1558    -0.6022	H	1	noname	0.0239
18	H6    -1.6665     1.2666    -0.7236	H	1	noname	0.0257
19	H7    -0.3676     2.2220     0.0303	H	1	noname	0.0257
20	H8    -0.2017     1.6663    -1.6526	H	1	noname	0.0257
21	H9     1.3089     2.1165     2.4675	H	1	noname	0.0336
22	H10     0.1572     0.8604     1.9535	H	1	noname	0.0336
23	H11     1.5041     0.4423     3.0395	H	1	noname	0.0336
24	H12    -3.8388    -1.7432    -3.6618	H	1	noname	0.0536
25	H13    -4.2489    -1.6107    -1.9348	H	1	noname	0.0536
26	H14    -3.6138    -0.1967    -2.8098	H	1	noname	0.0536
@<TRIPOS>BOND
1	6	1	1
2	1	10	1
3	2	9	1
4	2	12	1
5	3	9	2
6	4	10	2
7	5	6	1
8	5	7	1
9	5	9	1
10	5	13	1
11	6	8	1
12	6	14	1
13	7	15	1
14	7	16	1
15	7	17	1
16	8	18	1
17	8	19	1
18	8	20	1
19	10	11	1
20	11	21	1
21	11	22	1
22	11	23	1
23	12	24	1
24	12	25	1
25	12	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1