@<TRIPOS>MOLECULE
92256313
27 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.8047    -1.0507     0.2626	O.3	1	noname	-0.3733
2	C1    -0.9390     0.3143     0.7638	C.3	1	noname	0.0796
3	C2    -0.6177     1.3456    -0.3581	C.3	1	noname	-0.0020
4	C3     0.9110    -0.4694    -1.4347	C.3	1	noname	-0.0085
5	C4     0.7818     1.0046    -0.9495	C.2	1	noname	-0.0817
6	C5     0.5119    -1.4083    -0.2580	C.3	1	noname	0.0512
7	C6    -2.2739     0.5207     1.2329	C.2	1	noname	-0.0642
8	C7    -2.7567    -0.2320     2.2175	C.2	1	noname	-0.0705
9	C8     1.7725     1.8882    -1.0323	C.2	1	noname	-0.0901
10	C9    -4.0917    -0.0256     2.6866	C.3	1	noname	-0.0441
11	C10    -1.9407    -1.2477     2.8069	C.3	1	noname	-0.0441
12	H1    -0.1955     0.4467     1.5498	H	1	noname	0.0651
13	H2    -1.3708     1.2751    -1.1429	H	1	noname	0.0342
14	H3    -0.6627     2.3736     0.0015	H	1	noname	0.0342
15	H4     0.2382    -0.6352    -2.2761	H	1	noname	0.0336
16	H5     1.9114    -0.6825    -1.8114	H	1	noname	0.0336
17	H6     0.4967    -2.4410    -0.6063	H	1	noname	0.0569
18	H7     1.2338    -1.2502     0.5432	H	1	noname	0.0569
19	H8    -2.8389     1.2239     0.8249	H	1	noname	0.0602
20	H9     2.6442     1.6198    -1.4174	H	1	noname	0.0537
21	H10     1.6382     2.8142    -0.7089	H	1	noname	0.0537
22	H11    -2.4186    -2.2187     2.6768	H	1	noname	0.0276
23	H12    -1.8174    -1.0431     3.8704	H	1	noname	0.0276
24	H13    -0.9641    -1.2557     2.3228	H	1	noname	0.0276
25	H14    -4.6698    -0.9396     2.5509	H	1	noname	0.0276
26	H15    -4.5541     0.7840     2.1221	H	1	noname	0.0276
27	H16    -4.0686     0.2360     3.7445	H	1	noname	0.0276
@<TRIPOS>BOND
1	1	2	1
2	1	6	1
3	2	3	1
4	2	7	1
5	2	12	1
6	3	5	1
7	3	13	1
8	3	14	1
9	4	5	1
10	4	6	1
11	4	15	1
12	4	16	1
13	5	9	2
14	6	17	1
15	6	18	1
16	7	8	2
17	7	19	1
18	8	10	1
19	8	11	1
20	9	20	1
21	9	21	1
22	10	25	1
23	10	26	1
24	10	27	1
25	11	22	1
26	11	23	1
27	11	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1