B5V2QM
-OEChem-04042104563D
46 48 0 0 0 0 0 0 0999 V2000
1.4611 -1.7302 -3.6069 Br 0 0 0 0 0 0 0 0 0 0 0 0
4.2988 -0.6720 1.6215 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2725 3.4085 -0.3172 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7621 1.3440 0.6945 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.6149 0.6207 -0.5349 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.6580 -2.3522 1.6897 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8972 1.5472 -0.1454 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0049 2.2671 0.8672 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4361 0.1454 -0.4601 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6041 -0.1891 0.5179 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5857 1.1532 0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3134 0.7764 -0.2268 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2459 0.0060 0.8215 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5836 2.4256 0.3498 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2931 -1.3345 0.9388 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6592 -0.8969 0.4397 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2783 2.1083 -0.3429 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6286 1.9142 -0.6444 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7802 -0.1027 -1.6659 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2432 -0.4993 -0.1098 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6342 -1.4979 0.6229 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2265 -2.1872 0.1337 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3473 -1.3930 -1.9718 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5703 -2.4352 -1.0720 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6850 -0.6316 -0.4714 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4846 -1.7945 2.4814 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9274 1.5129 0.2307 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9426 2.1356 -1.0713 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4039 3.2688 1.0657 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9892 1.7406 1.8285 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6751 -0.7210 1.3920 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1884 0.6013 1.2441 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8429 3.0259 -0.7133 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1499 2.6768 -1.2205 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6044 0.7108 -2.3660 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1868 -2.3770 0.9389 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3641 -3.0451 0.7827 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2388 -3.4459 -1.2962 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2999 -0.6956 0.4320 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0262 0.2325 -1.0512 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8448 -1.5288 -1.0778 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1946 -3.1626 1.9724 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6863 -2.3017 1.9541 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5278 -2.2059 2.8207 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1267 -2.5537 2.0219 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0083 -1.4336 3.3728 H 0 0 0 0 0 0 0 0 0 0 0 0
1 23 1 0 0 0 0
2 16 1 0 0 0 0
2 26 1 0 0 0 0
3 14 2 0 0 0 0
4 11 1 0 0 0 0
4 14 1 0 0 0 0
4 32 1 0 0 0 0
5 12 2 0 0 0 0
5 20 1 0 0 0 0
6 15 1 0 0 0 0
6 42 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 27 1 0 0 0 0
7 28 1 0 0 0 0
8 14 1 0 0 0 0
8 29 1 0 0 0 0
8 30 1 0 0 0 0
9 16 2 0 0 0 0
9 19 1 0 0 0 0
10 12 1 0 0 0 0
10 13 1 0 0 0 0
10 15 2 0 0 0 0
11 13 2 0 0 0 0
11 17 1 0 0 0 0
12 18 1 0 0 0 0
13 31 1 0 0 0 0
15 21 1 0 0 0 0
16 22 1 0 0 0 0
17 18 2 0 0 0 0
17 33 1 0 0 0 0
18 34 1 0 0 0 0
19 23 2 0 0 0 0
19 35 1 0 0 0 0
20 21 2 0 0 0 0
20 25 1 0 0 0 0
21 36 1 0 0 0 0
22 24 2 0 0 0 0
22 37 1 0 0 0 0
23 24 1 0 0 0 0
24 38 1 0 0 0 0
25 39 1 0 0 0 0
25 40 1 0 0 0 0
25 41 1 0 0 0 0
26 44 1 0 0 0 0
26 45 1 0 0 0 0
26 46 1 0 0 0 0
M END
$$$$