@<TRIPOS>MOLECULE
96008291
26 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.7185    -5.7124     0.9013	O.2	1	noname	-0.3066
2	C1    -0.8923    -1.2832    -0.1847	C.3	1	noname	-0.0186
3	C2    -1.1440    -2.6353     0.4857	C.3	1	noname	-0.0400
4	C3     0.2749    -0.6493     0.4213	C.2	1	noname	-0.0537
5	C4    -2.1162    -0.3848     0.0040	C.3	1	noname	-0.0584
6	C5     0.0800    -3.5338     0.2970	C.3	1	noname	0.0036
7	C6     1.5418    -0.8819    -0.1010	C.2	1	noname	-0.0564
8	C7     0.1193     0.1870     1.5207	C.2	1	noname	-0.0564
9	C8     2.6531    -0.2784     0.4759	C.2	1	noname	-0.0603
10	C9     1.2305     0.7906     2.0977	C.2	1	noname	-0.0603
11	C10    -0.1602    -4.8240     0.9368	C.2	1	noname	0.1230
12	C11     2.4974     0.5579     1.5753	C.2	1	noname	-0.0616
13	H1    -0.7125    -1.4334    -1.2492	H	1	noname	0.0349
14	H2    -2.0154    -3.1086     0.0333	H	1	noname	0.0277
15	H3    -1.3238    -2.4851     1.5503	H	1	noname	0.0277
16	H4    -1.9369     0.5785    -0.4736	H	1	noname	0.0236
17	H5    -2.9876    -0.8581    -0.4484	H	1	noname	0.0236
18	H6    -2.2960    -0.2346     1.0686	H	1	noname	0.0236
19	H7     0.2598    -3.6840    -0.7675	H	1	noname	0.0343
20	H8     0.9514    -3.0605     0.7495	H	1	noname	0.0343
21	H9     1.6561    -1.4956    -0.9077	H	1	noname	0.0625
22	H10    -0.8104     0.3577     1.9040	H	1	noname	0.0625
23	H11     3.5828    -0.4491     0.0926	H	1	noname	0.0622
24	H12     1.1163     1.4042     2.9044	H	1	noname	0.0622
25	H13    -1.0449    -5.0005     1.4127	H	1	noname	0.1041
26	H14     3.3129     1.0008     1.9987	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	11	2
2	2	3	1
3	2	4	1
4	2	5	1
5	2	13	1
6	3	6	1
7	3	14	1
8	3	15	1
9	4	7	2
10	4	8	1
11	5	16	1
12	5	17	1
13	5	18	1
14	6	11	1
15	6	19	1
16	6	20	1
17	7	9	1
18	7	21	1
19	8	10	2
20	8	22	1
21	9	12	2
22	9	23	1
23	10	12	1
24	10	24	1
25	11	25	1
26	12	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1