@<TRIPOS>MOLECULE
66695403
27 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.3761    -0.1750     0.7374	O.3	1	noname	-0.3498
2	O2     1.9338     0.2289    -0.0365	O.3	1	noname	-0.3498
3	O3     0.3826     2.7016     1.8205	O.3	1	noname	-0.3882
4	C1     1.1540    -2.0418     0.3825	C.3	1	noname	0.0007
5	C2     1.0269    -0.5683     0.7743	C.3	1	noname	0.1578
6	C3     0.6050    -2.2428    -1.0314	C.3	1	noname	-0.0423
7	C4     0.4175     2.2704     0.4680	C.3	1	noname	0.1010
8	C5    -0.6585     1.1665     0.2472	C.3	1	noname	0.0781
9	C6     1.8186     1.6653     0.1515	C.3	1	noname	0.0781
10	C7     0.7321    -3.7163    -1.4231	C.3	1	noname	-0.0626
11	C8     1.4016    -1.3831    -2.0148	C.3	1	noname	-0.0626
12	H1     0.5865    -2.6543     1.0832	H	1	noname	0.0321
13	H2     2.2032    -2.3358     0.4101	H	1	noname	0.0321
14	H3     1.3452    -0.4116     1.8049	H	1	noname	0.0921
15	H4    -0.4442    -1.9487    -1.0589	H	1	noname	0.0299
16	H5     0.2159     3.1540    -0.1376	H	1	noname	0.0649
17	H6    -1.6143     1.5056     0.6467	H	1	noname	0.0595
18	H7    -0.7209     1.0561    -0.8354	H	1	noname	0.0595
19	H8     2.2513     2.1799    -0.7064	H	1	noname	0.0595
20	H9     2.4322     1.9324     1.0119	H	1	noname	0.0595
21	H10     1.0105    -1.5263    -3.0221	H	1	noname	0.0233
22	H11     1.3110    -0.3333    -1.7357	H	1	noname	0.0233
23	H12     2.4508    -1.6771    -1.9872	H	1	noname	0.0233
24	H13     0.3410    -3.8596    -2.4304	H	1	noname	0.0233
25	H14     0.1646    -4.3288    -0.7225	H	1	noname	0.0233
26	H15     1.7813    -4.0104    -1.3955	H	1	noname	0.0233
27	H16    -0.5045     3.0645     2.0249	H	1	noname	0.2106
@<TRIPOS>BOND
1	1	5	1
2	1	8	1
3	2	5	1
4	2	9	1
5	3	7	1
6	3	27	1
7	4	5	1
8	4	6	1
9	4	12	1
10	4	13	1
11	5	14	1
12	6	10	1
13	6	11	1
14	6	15	1
15	7	8	1
16	7	9	1
17	7	16	1
18	8	17	1
19	8	18	1
20	9	19	1
21	9	20	1
22	10	24	1
23	10	25	1
24	10	26	1
25	11	21	1
26	11	22	1
27	11	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1