B28JTM
-OEChem-04022102152D
49 52 0 1 0 0 0 0 0999 V2000
2.0000 3.1985 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
11.7076 -3.1985 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
11.8893 0.6514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9067 3.0926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6279 3.0645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.8712 -0.7498 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.1667 1.8325 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1279 2.1985 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1781 -0.4363 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.1667 0.8325 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.6279 1.3325 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.2157 0.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0052 -1.2498 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.9758 0.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6144 -1.4190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6279 1.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2131 -2.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2076 -2.3325 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
9.2157 2.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1279 2.1985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5443 3.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5443 1.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0917 -0.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 3.1985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.1985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7192 1.1140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3464 1.8849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6788 0.2135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4679 -0.0429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9728 -0.6307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1513 -1.7290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9788 -0.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0453 1.1204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7356 0.7219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5965 -2.2928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2131 -2.8480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8268 -2.3000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6683 2.1969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0817 3.3125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2933 3.5702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2933 0.8269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0817 1.0846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 3.8185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.5785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 1.3885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 28 1 0 0 0 0
18 2 1 1 0 0 0
3 14 2 0 0 0 0
4 19 2 0 0 0 0
5 20 2 0 0 0 0
6 13 1 0 0 0 0
6 14 1 0 0 0 0
6 15 1 0 0 0 0
7 10 1 0 0 0 0
7 19 1 0 0 0 0
7 42 1 0 0 0 0
8 20 1 0 0 0 0
8 21 1 0 0 0 0
8 22 1 0 0 0 0
9 25 3 0 0 0 0
10 12 1 0 0 0 0
10 14 1 6 0 0 0
10 30 1 0 0 0 0
11 12 1 0 0 0 0
11 16 1 1 0 0 0
11 19 1 0 0 0 0
11 31 1 0 0 0 0
12 32 1 0 0 0 0
12 33 1 0 0 0 0
13 17 1 0 0 0 0
13 25 1 1 0 0 0
13 34 1 0 0 0 0
15 18 1 0 0 0 0
15 35 1 0 0 0 0
15 36 1 0 0 0 0
16 20 1 0 0 0 0
16 37 1 0 0 0 0
16 38 1 0 0 0 0
17 18 1 0 0 0 0
17 39 1 0 0 0 0
17 40 1 0 0 0 0
18 41 1 0 0 0 0
21 23 1 0 0 0 0
21 43 1 0 0 0 0
21 44 1 0 0 0 0
22 24 1 0 0 0 0
22 45 1 0 0 0 0
22 46 1 0 0 0 0
23 24 2 0 0 0 0
23 26 1 0 0 0 0
24 27 1 0 0 0 0
26 28 2 0 0 0 0
26 47 1 0 0 0 0
27 29 2 0 0 0 0
27 48 1 0 0 0 0
28 29 1 0 0 0 0
29 49 1 0 0 0 0
M END
$$$$