B2TON8
-OEChem-04042104553D
54 55 0 1 0 0 0 0 0999 V2000
-1.3391 0.2838 -2.1858 F 0 0 0 0 0 0 0 0 0 0 0 0
-2.1927 -1.1991 1.1426 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8614 2.1678 0.4408 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1895 -2.1563 -0.9776 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1617 1.0832 1.4757 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7979 -2.9356 0.7085 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1734 -2.9823 0.2437 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4506 -2.5691 -0.4918 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1174 -3.5075 -0.7347 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5522 -2.0639 0.4425 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1480 -3.9845 -0.0285 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6430 2.4749 -0.4636 C 0 0 1 0 0 0 0 0 0 0 0 0
1.2165 2.0662 -0.3154 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8477 -1.7189 -0.2758 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4523 1.3022 -0.0398 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8387 0.9074 0.1083 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5866 1.3523 -1.3348 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5120 2.3982 0.8420 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7478 0.9703 -1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8224 2.0161 0.9797 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1763 -0.3158 0.6871 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8558 4.0024 -0.4456 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7664 -2.1047 0.1736 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8415 1.7688 -0.3369 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5526 1.8318 0.5894 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5168 -0.6778 0.8210 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1819 1.4068 -0.2032 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5196 0.1835 0.3757 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7832 -2.1188 0.7952 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4104 -3.7590 0.9806 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2123 -1.7847 -1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8314 -3.4262 -1.0612 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8633 -2.7168 -1.4516 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5345 -4.3426 -1.3102 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1977 -1.1851 0.9875 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7664 -2.8331 1.1943 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0884 -4.7844 0.6811 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8495 -4.3872 -0.7674 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0146 2.1038 -1.4289 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2524 -2.5939 -0.7940 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6839 -0.9270 -1.0135 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5977 -1.3684 0.4400 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5294 -2.7905 1.6771 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1204 1.0843 -2.2425 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9846 2.9544 1.6470 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3570 2.2826 1.8884 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6517 4.4262 0.5441 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8879 4.2611 -0.7055 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1958 4.4949 -1.1682 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5969 2.7264 -0.7909 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7870 -1.6289 1.2716 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9628 2.0773 -0.5499 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5633 -0.0983 0.4799 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4268 1.7400 1.1187 H 0 0 0 0 0 0 0 0 0 0 0 0
1 19 1 0 0 0 0
2 21 1 0 0 0 0
2 23 1 0 0 0 0
3 25 1 0 0 0 0
3 54 1 0 0 0 0
4 23 2 0 0 0 0
5 25 2 0 0 0 0
6 11 1 0 0 0 0
6 23 1 0 0 0 0
6 43 1 0 0 0 0
7 8 1 0 0 0 0
7 9 1 0 0 0 0
7 29 1 0 0 0 0
7 30 1 0 0 0 0
8 10 1 0 0 0 0
8 31 1 0 0 0 0
8 32 1 0 0 0 0
9 11 1 0 0 0 0
9 33 1 0 0 0 0
9 34 1 0 0 0 0
10 14 1 0 0 0 0
10 35 1 0 0 0 0
10 36 1 0 0 0 0
11 37 1 0 0 0 0
11 38 1 0 0 0 0
12 13 1 0 0 0 0
12 22 1 0 0 0 0
12 25 1 0 0 0 0
12 39 1 0 0 0 0
13 17 2 0 0 0 0
13 18 1 0 0 0 0
14 40 1 0 0 0 0
14 41 1 0 0 0 0
14 42 1 0 0 0 0
15 16 1 0 0 0 0
15 19 2 0 0 0 0
15 20 1 0 0 0 0
16 21 1 0 0 0 0
16 24 2 0 0 0 0
17 19 1 0 0 0 0
17 44 1 0 0 0 0
18 20 2 0 0 0 0
18 45 1 0 0 0 0
20 46 1 0 0 0 0
21 26 2 0 0 0 0
22 47 1 0 0 0 0
22 48 1 0 0 0 0
22 49 1 0 0 0 0
24 27 1 0 0 0 0
24 50 1 0 0 0 0
26 28 1 0 0 0 0
26 51 1 0 0 0 0
27 28 2 0 0 0 0
27 52 1 0 0 0 0
28 53 1 0 0 0 0
M END
$$$$