@<TRIPOS>MOLECULE
71587137
24 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.3455    -0.0344     0.2046	O.3	1	noname	-0.2071
2	O2    -2.8453     2.3363     0.0505	O.3	1	noname	-0.3932
3	O3     3.3202    -1.0948     0.4253	O.2	1	noname	-0.2543
4	C1    -0.7418     1.1693     0.1878	C.3	1	noname	-0.0030
5	C2    -1.9421     1.5288    -0.6901	C.3	1	noname	0.0535
6	C3     0.2314     0.2992    -0.6102	C.3	1	noname	0.0588
7	C4    -2.6505     0.2477    -1.1350	C.3	1	noname	-0.0389
8	C5     2.2690    -1.2872    -1.6669	C.3	1	noname	0.0308
9	C6     2.3395    -0.8011    -0.2920	C.2	1	noname	0.1398
10	C7     2.2830    -2.8171    -1.6683	C.3	1	noname	-0.0560
11	H1    -1.0845     0.6204     1.0649	H	1	noname	0.0316
12	H2    -0.2371     2.0820     0.5048	H	1	noname	0.0316
13	H3    -1.5993     2.0777    -1.5672	H	1	noname	0.0597
14	H4    -0.2732    -0.6135    -0.9271	H	1	noname	0.0574
15	H5     0.5742     0.8482    -1.4873	H	1	noname	0.0574
16	H6    -1.9572    -0.3722    -1.7035	H	1	noname	0.0256
17	H7    -3.5056     0.5038    -1.7605	H	1	noname	0.0256
18	H8    -2.9933    -0.3012    -0.2579	H	1	noname	0.0256
19	H9     1.3492    -0.9318    -2.1313	H	1	noname	0.0369
20	H10     3.1264    -0.9155    -2.2281	H	1	noname	0.0369
21	H11    -2.3916     3.1569     0.3355	H	1	noname	0.2104
22	H12     2.2304    -3.1800    -2.6948	H	1	noname	0.0236
23	H13     1.4256    -3.1888    -1.1072	H	1	noname	0.0236
24	H14     3.2029    -3.1725    -1.2040	H	1	noname	0.0236
@<TRIPOS>BOND
1	1	6	1
2	1	9	1
3	2	5	1
4	2	21	1
5	3	9	2
6	4	5	1
7	4	6	1
8	4	11	1
9	4	12	1
10	5	7	1
11	5	13	1
12	6	14	1
13	6	15	1
14	7	16	1
15	7	17	1
16	7	18	1
17	8	9	1
18	8	10	1
19	8	19	1
20	8	20	1
21	10	22	1
22	10	23	1
23	10	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1