B8XN4U
-OEChem-04022114163D
46 48 0 1 0 0 0 0 0999 V2000
-4.0087 -0.0735 -2.5593 Cl 0 0 0 0 0 0 0 0 0 0 0 0
5.5257 2.3960 0.9813 F 0 0 0 0 0 0 0 0 0 0 0 0
3.9257 -2.2699 0.0058 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4848 -0.0528 -0.3268 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7526 -1.4689 -1.6442 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.9521 0.9077 -0.0787 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1558 1.3450 -0.6003 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9188 -0.2295 -0.1499 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4545 2.0912 -0.3436 C 0 0 2 0 0 0 0 0 0 0 0 0
6.5289 1.0655 -0.6667 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1433 -0.7528 -0.4350 C 0 0 1 0 0 0 0 0 0 0 0 0
1.3071 -1.1456 0.8037 C 0 0 2 0 0 0 0 0 0 0 0 0
3.5946 -1.1072 -0.2322 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1636 -0.7813 0.6314 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8475 -0.5173 2.0970 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1371 -1.7801 0.6569 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5354 0.5506 0.4485 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4824 -1.4468 0.4995 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8806 0.8838 0.2912 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8542 -0.1148 0.3168 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2498 0.2309 0.1532 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8534 0.2750 -1.0986 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9959 0.5247 1.2893 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1950 0.6158 -1.1601 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3310 0.8545 1.1210 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3615 1.6933 0.0648 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8443 1.4169 -1.6473 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2727 -1.1157 -0.6849 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1071 -0.3643 0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5429 3.0206 -0.9111 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6743 1.0035 -1.7514 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4875 1.2817 -0.1878 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9960 0.3052 -0.6466 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3776 -2.2349 0.9380 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2003 -0.7567 2.9487 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8475 -0.8943 2.3351 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9121 0.5738 2.0249 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7707 -1.2931 -1.8523 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2766 -1.1103 -2.4421 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8631 -2.8221 0.7979 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2047 1.3455 0.4298 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2285 -2.2376 0.5213 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1535 1.9270 0.1502 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5634 0.5018 2.2846 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7258 0.6684 -2.1061 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9563 1.0922 1.9753 H 0 0 0 0 0 0 0 0 0 0 0 0
1 22 1 0 0 0 0
2 9 1 0 0 0 0
3 13 2 0 0 0 0
4 7 1 0 0 0 0
4 8 1 0 0 0 0
4 13 1 0 0 0 0
5 11 1 0 0 0 0
5 38 1 0 0 0 0
5 39 1 0 0 0 0
6 24 2 0 0 0 0
6 25 1 0 0 0 0
7 9 1 0 0 0 0
7 26 1 0 0 0 0
7 27 1 0 0 0 0
8 10 1 0 0 0 0
8 28 1 0 0 0 0
8 29 1 0 0 0 0
9 10 1 0 0 0 0
9 30 1 0 0 0 0
10 31 1 0 0 0 0
10 32 1 0 0 0 0
11 12 1 0 0 0 0
11 13 1 0 0 0 0
11 33 1 0 0 0 0
12 14 1 0 0 0 0
12 15 1 0 0 0 0
12 34 1 0 0 0 0
14 16 2 0 0 0 0
14 17 1 0 0 0 0
15 35 1 0 0 0 0
15 36 1 0 0 0 0
15 37 1 0 0 0 0
16 18 1 0 0 0 0
16 40 1 0 0 0 0
17 19 2 0 0 0 0
17 41 1 0 0 0 0
18 20 2 0 0 0 0
18 42 1 0 0 0 0
19 20 1 0 0 0 0
19 43 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
22 24 1 0 0 0 0
23 25 2 0 0 0 0
23 44 1 0 0 0 0
24 45 1 0 0 0 0
25 46 1 0 0 0 0
M END
$$$$