@<TRIPOS>MOLECULE
71587018
24 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.7633    -0.5064     0.0157	O.3	1	noname	-0.2724
2	O2     2.2732    -2.5730     0.0890	O.2	1	noname	-0.2881
3	C1     0.5437     2.9851    -0.1654	C.3	1	noname	-0.0217
4	C2     0.6672     1.5317    -0.1020	C.2	1	noname	-0.0335
5	C3     0.5152     3.4311    -1.6287	C.3	1	noname	-0.0587
6	C4    -0.7514     3.4175     0.5249	C.3	1	noname	-0.0587
7	C5     1.9908     1.0269    -0.0670	C.2	1	noname	0.0061
8	C6    -0.5534     0.8096    -0.0835	C.2	1	noname	-0.0481
9	C7     2.4263    -0.3205    -0.0055	C.2	1	noname	0.0287
10	C8    -0.7508    -0.5923    -0.0258	C.2	1	noname	-0.0301
11	C9     1.6380    -1.4977     0.0367	C.2	1	noname	0.0904
12	C10     0.2235    -1.6189     0.0275	C.2	1	noname	0.0349
13	H1     1.3946     3.4442     0.3379	H	1	noname	0.0346
14	H2    -0.8435     4.5026     0.4776	H	1	noname	0.0236
15	H3    -1.6022     2.9583     0.0216	H	1	noname	0.0236
16	H4     0.4231     4.5162    -1.6760	H	1	noname	0.0236
17	H5    -0.3356     2.9719    -2.1320	H	1	noname	0.0236
18	H6     1.4379     3.1230    -2.1205	H	1	noname	0.0236
19	H7    -0.7311     3.0997     1.5674	H	1	noname	0.0236
20	H8     2.7307     1.7286    -0.0892	H	1	noname	0.0654
21	H9    -1.4019     1.3747    -0.1160	H	1	noname	0.0625
22	H10    -1.7223    -0.9030    -0.0223	H	1	noname	0.0624
23	H11    -0.1392    -2.5715     0.0642	H	1	noname	0.0664
24	H12     4.2146     0.3629    -0.0168	H	1	noname	0.2183
@<TRIPOS>BOND
1	1	9	1
2	1	24	1
3	2	11	2
4	3	4	1
5	3	5	1
6	3	6	1
7	3	13	1
8	4	7	1
9	4	8	2
10	5	16	1
11	5	17	1
12	5	18	1
13	6	14	1
14	6	15	1
15	6	19	1
16	7	9	2
17	7	20	1
18	8	10	1
19	8	21	1
20	9	11	1
21	10	12	2
22	10	22	1
23	11	12	1
24	12	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1