BIKL83
-OEChem-04042101433D
79 83 0 0 0 0 0 0 0999 V2000
15.4729 0.9037 0.2694 Br 0 0 0 0 0 0 0 0 0 0 0 0
9.5309 -0.9359 -1.4261 S 0 0 0 0 0 0 0 0 0 0 0 0
-6.6300 -2.9887 1.3804 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.2869 1.8836 -1.9173 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9656 0.1007 -2.2686 O 0 0 0 0 0 0 0 0 0 0 0 0
9.6328 -2.2978 -1.9145 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4264 -0.7100 0.8796 N 0 0 0 0 0 0 0 0 0 0 0 0
8.7271 -0.9469 0.0716 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.7404 -0.2545 1.6746 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9912 -0.4543 0.8188 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4769 -0.2158 0.8135 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2460 -0.5308 1.6800 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2226 -0.0496 1.6731 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9700 0.3712 0.1804 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0435 -0.0445 0.8150 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2997 0.0884 1.6776 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0734 0.2584 -0.5837 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5638 0.1273 0.8174 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4895 1.7595 0.1332 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8220 0.2267 1.6818 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.7756 -1.0064 -0.7321 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0448 -1.9884 0.7965 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2669 -2.1212 -0.0484 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3477 2.4868 -0.6912 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0885 0.2315 0.8233 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3764 1.5800 -1.1759 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3478 0.3006 1.6925 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4231 2.4344 0.7102 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.9239 -1.1615 -1.5181 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2072 3.8355 -0.9722 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.8999 -3.3675 -0.1521 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6302 0.2960 0.8674 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2487 3.8024 0.4485 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.5527 -2.4046 -1.6200 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1343 4.4979 -0.3865 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.0419 -3.5053 -0.9384 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1597 -0.4315 -0.9601 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1148 -1.3884 -0.6169 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4902 0.9235 -0.9365 C 0 0 0 0 0 0 0 0 0 0 0 0
13.4003 -0.9905 -0.2501 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7758 1.3215 -0.5696 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7308 0.3646 -0.2264 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8243 0.6788 2.2438 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6611 -1.0704 2.4035 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8919 -1.4010 0.2697 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0435 0.3141 0.0434 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5445 0.6119 0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4018 -1.1424 0.2313 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3779 0.3169 2.3584 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1393 -1.3936 2.3501 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2870 0.8863 2.2413 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1671 -0.8673 2.4021 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9975 0.7860 0.1001 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0971 -0.9714 0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3547 -0.7554 2.3761 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2385 1.0031 2.2796 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6140 -0.7778 0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5185 0.9834 0.1334 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7827 1.1413 2.2858 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8553 -0.6199 2.3784 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0674 1.0883 0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1042 -0.6746 0.2063 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3221 1.2100 2.3045 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3575 -0.5516 2.3836 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7117 1.9863 1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3544 -0.3289 -2.0656 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8999 4.3605 -1.6197 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5199 -4.2412 0.3703 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4944 0.3520 1.5373 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6401 1.1735 0.2131 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4172 4.3331 0.9055 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.4430 -2.5119 -2.2331 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9807 5.5567 -0.5737 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5329 -4.4706 -1.0193 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7055 -1.8225 0.6091 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8772 -2.4484 -0.6215 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7618 1.6856 -1.1978 H 0 0 0 0 0 0 0 0 0 0 0 0
14.1325 -1.7486 0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0170 2.3813 -0.5559 H 0 0 0 0 0 0 0 0 0 0 0 0
1 42 1 0 0 0 0
2 5 2 0 0 0 0
2 6 2 0 0 0 0
2 8 1 0 0 0 0
2 37 1 0 0 0 0
3 22 2 0 0 0 0
4 26 2 0 0 0 0
7 12 1 0 0 0 0
7 14 1 0 0 0 0
7 22 1 0 0 0 0
8 32 1 0 0 0 0
8 75 1 0 0 0 0
9 10 1 0 0 0 0
9 11 1 0 0 0 0
9 43 1 0 0 0 0
9 44 1 0 0 0 0
10 12 1 0 0 0 0
10 45 1 0 0 0 0
10 46 1 0 0 0 0
11 13 1 0 0 0 0
11 47 1 0 0 0 0
11 48 1 0 0 0 0
12 49 1 0 0 0 0
12 50 1 0 0 0 0
13 15 1 0 0 0 0
13 51 1 0 0 0 0
13 52 1 0 0 0 0
14 17 2 0 0 0 0
14 19 1 0 0 0 0
15 16 1 0 0 0 0
15 53 1 0 0 0 0
15 54 1 0 0 0 0
16 18 1 0 0 0 0
16 55 1 0 0 0 0
16 56 1 0 0 0 0
17 21 1 0 0 0 0
17 26 1 0 0 0 0
18 20 1 0 0 0 0
18 57 1 0 0 0 0
18 58 1 0 0 0 0
19 24 1 0 0 0 0
19 28 2 0 0 0 0
20 25 1 0 0 0 0
20 59 1 0 0 0 0
20 60 1 0 0 0 0
21 23 1 0 0 0 0
21 29 2 0 0 0 0
22 23 1 0 0 0 0
23 31 2 0 0 0 0
24 26 1 0 0 0 0
24 30 2 0 0 0 0
25 27 1 0 0 0 0
25 61 1 0 0 0 0
25 62 1 0 0 0 0
27 32 1 0 0 0 0
27 63 1 0 0 0 0
27 64 1 0 0 0 0
28 33 1 0 0 0 0
28 65 1 0 0 0 0
29 34 1 0 0 0 0
29 66 1 0 0 0 0
30 35 1 0 0 0 0
30 67 1 0 0 0 0
31 36 1 0 0 0 0
31 68 1 0 0 0 0
32 69 1 0 0 0 0
32 70 1 0 0 0 0
33 35 2 0 0 0 0
33 71 1 0 0 0 0
34 36 2 0 0 0 0
34 72 1 0 0 0 0
35 73 1 0 0 0 0
36 74 1 0 0 0 0
37 38 2 0 0 0 0
37 39 1 0 0 0 0
38 40 1 0 0 0 0
38 76 1 0 0 0 0
39 41 2 0 0 0 0
39 77 1 0 0 0 0
40 42 2 0 0 0 0
40 78 1 0 0 0 0
41 42 1 0 0 0 0
41 79 1 0 0 0 0
M END
$$$$