BL30OR
-OEChem-04012114062D
71 75 0 1 0 0 0 0 0999 V2000
9.2914 3.7109 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
3.6428 -1.6045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5438 -4.0384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6422 -0.4070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3065 -0.8738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.6520 -2.7443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8538 2.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2266 -2.2280 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0438 0.1523 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7902 -3.4749 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5438 -2.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4447 -1.6045 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4098 -2.5384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6778 -2.5384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4098 -3.5384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6778 -3.5384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6673 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4203 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0438 0.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4777 1.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1574 -1.8626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3880 -0.4902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9393 -2.4861 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.6782 1.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5772 2.0483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8702 -2.1208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.0000 0.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6494 1.2908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4887 2.4596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7653 2.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5883 3.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0192 -1.1319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8648 3.6271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3250 1.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7764 4.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5310 3.8976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2777 2.2596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3814 3.2961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0419 2.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0300 -1.3997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0204 -2.6460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6218 -1.9557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4657 -1.9557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0672 -2.6460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6218 -4.1210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0204 -3.4307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0672 -3.4307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4657 -4.1210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1342 -2.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8840 0.5850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8808 1.2212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0071 -0.9794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4240 -2.8727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0704 1.6079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4473 -1.8942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3866 0.5665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4252 1.8689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2750 -3.8615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2131 -3.7014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6323 -1.2243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1116 -0.5189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4061 -1.0395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3614 3.9890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2561 1.2224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8381 4.6553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2291 -2.5177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5856 4.5152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7797 1.8958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4038 3.3080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5385 3.1665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6800 2.3012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 38 1 0 0 0 0
2 11 1 0 0 0 0
2 18 1 0 0 0 0
3 15 1 0 0 0 0
3 16 1 0 0 0 0
4 17 2 0 0 0 0
5 21 2 0 0 0 0
26 6 1 6 0 0 0
6 66 1 0 0 0 0
7 30 1 0 0 0 0
7 39 1 0 0 0 0
12 8 1 6 0 0 0
8 21 1 0 0 0 0
8 49 1 0 0 0 0
9 17 1 0 0 0 0
9 19 1 0 0 0 0
9 20 1 0 0 0 0
23 10 1 6 0 0 0
10 58 1 0 0 0 0
10 59 1 0 0 0 0
11 12 1 0 0 0 0
11 13 1 0 0 0 0
11 14 1 0 0 0 0
12 17 1 0 0 0 0
12 40 1 0 0 0 0
13 15 1 0 0 0 0
13 41 1 0 0 0 0
13 42 1 0 0 0 0
14 16 1 0 0 0 0
14 43 1 0 0 0 0
14 44 1 0 0 0 0
15 45 1 0 0 0 0
15 46 1 0 0 0 0
16 47 1 0 0 0 0
16 48 1 0 0 0 0
18 19 1 0 0 0 0
18 22 2 0 0 0 0
19 24 2 0 0 0 0
20 25 1 0 0 0 0
20 50 1 0 0 0 0
20 51 1 0 0 0 0
21 23 1 0 0 0 0
22 27 1 0 0 0 0
22 52 1 0 0 0 0
23 26 1 0 0 0 0
23 53 1 0 0 0 0
24 28 1 0 0 0 0
24 54 1 0 0 0 0
25 29 1 0 0 0 0
25 30 2 0 0 0 0
26 32 1 0 0 0 0
26 55 1 0 0 0 0
27 28 2 0 0 0 0
27 56 1 0 0 0 0
28 57 1 0 0 0 0
29 31 2 0 0 0 0
29 34 1 0 0 0 0
30 33 1 0 0 0 0
31 35 1 0 0 0 0
31 36 1 0 0 0 0
32 60 1 0 0 0 0
32 61 1 0 0 0 0
32 62 1 0 0 0 0
33 35 2 0 0 0 0
33 63 1 0 0 0 0
34 37 2 0 0 0 0
34 64 1 0 0 0 0
35 65 1 0 0 0 0
36 38 2 0 0 0 0
36 67 1 0 0 0 0
37 38 1 0 0 0 0
37 68 1 0 0 0 0
39 69 1 0 0 0 0
39 70 1 0 0 0 0
39 71 1 0 0 0 0
M END
$$$$