@<TRIPOS>MOLECULE
91667952
24 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.8521     1.6464    -1.1827	O.3	1	noname	-0.3703
2	O2     0.7099     2.2139     2.0885	O.3	1	noname	-0.3886
3	N1     1.1829     0.0183     0.6934	N.3	1	noname	-0.2948
4	C1    -0.2741    -0.0452     0.3784	C.3	1	noname	0.0411
5	C2    -0.6819     1.4432     0.2494	C.3	1	noname	0.1009
6	C3     1.6687     1.2757     0.0616	C.3	1	noname	0.0408
7	C4     0.0580     0.7080    -1.8262	C.3	1	noname	0.0614
8	C5     0.5972     2.2228     0.6730	C.3	1	noname	0.0974
9	C6    -0.3914    -0.5766    -1.0761	C.3	1	noname	-0.0083
10	C7     1.5717     1.1135    -1.5179	C.3	1	noname	-0.0083
11	C8     1.8627    -1.1256     0.0877	C.3	1	noname	-0.0125
12	H1    -0.8623    -0.6195     1.0978	H	1	noname	0.0496
13	H2    -1.5739     1.7318     0.8054	H	1	noname	0.0647
14	H3     2.6851     1.5300     0.3623	H	1	noname	0.0496
15	H4    -0.0686     0.6191    -2.9052	H	1	noname	0.0604
16	H5     0.6413     3.2488     0.3077	H	1	noname	0.0644
17	H6    -1.4370    -0.7835    -1.3042	H	1	noname	0.0310
18	H7     0.2148    -1.4579    -1.2858	H	1	noname	0.0310
19	H8     1.7970     2.0671    -1.9955	H	1	noname	0.0310
20	H9     2.2839     0.3848    -1.9050	H	1	noname	0.0310
21	H10     2.9271    -1.0793     0.3178	H	1	noname	0.0394
22	H11     1.4446    -2.0497     0.4868	H	1	noname	0.0394
23	H12     1.7231    -1.1007    -0.9930	H	1	noname	0.0394
24	H13     1.5151     2.7047     2.3552	H	1	noname	0.2106
@<TRIPOS>BOND
1	1	5	1
2	1	7	1
3	8	2	1
4	2	24	1
5	3	4	1
6	3	6	1
7	3	11	1
8	4	5	1
9	4	9	1
10	4	12	1
11	5	8	1
12	5	13	1
13	6	8	1
14	6	10	1
15	6	14	1
16	7	9	1
17	7	10	1
18	7	15	1
19	8	16	1
20	9	17	1
21	9	18	1
22	10	19	1
23	10	20	1
24	11	21	1
25	11	22	1
26	11	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1