BRCU27
-OEChem-04022114063D
47 49 0 0 0 0 0 0 0999 V2000
-6.3727 2.1023 -0.0246 S 0 0 0 0 0 0 0 0 0 0 0 0
1.3952 -4.6135 -0.1882 F 0 0 0 0 0 0 0 0 0 0 0 0
-0.5198 -4.7199 0.8361 F 0 0 0 0 0 0 0 0 0 0 0 0
-0.4564 -4.5894 -1.3279 F 0 0 0 0 0 0 0 0 0 0 0 0
-6.3797 3.1041 -1.0818 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.4126 1.0840 0.0132 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3942 0.1982 0.1324 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0162 0.1096 0.0538 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0996 -2.0204 -0.1061 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6837 -0.4130 0.1371 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8263 1.2913 -0.0243 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3557 -0.0041 -0.0243 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7602 0.6283 0.2703 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0745 -0.6764 -0.0251 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1939 -0.5489 0.0494 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7121 0.0072 0.5088 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7053 1.9275 -0.5573 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4768 -0.6403 0.5088 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4699 1.2798 -0.5571 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1112 1.4133 -0.8280 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3041 -1.9222 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1105 2.3785 -0.7044 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1123 -2.6136 -0.1054 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4083 0.8087 1.4921 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4114 2.9809 1.5214 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7589 2.5589 0.5175 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4077 1.7739 1.6157 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4866 3.2176 -1.8786 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1298 -4.1026 -0.1945 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8627 -0.9712 -0.7912 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7779 -1.1254 0.9668 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2916 1.2052 0.1905 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5699 -0.5033 0.9372 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7711 2.9289 -0.9735 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4175 -1.6362 0.9414 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6168 1.7987 -0.9873 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6070 1.2710 -1.7811 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2452 -2.4549 -0.0351 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1442 0.2061 2.3571 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3641 3.5109 1.5861 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3286 2.2633 2.3397 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5858 3.6948 1.5453 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5404 3.3063 0.6261 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9125 1.9143 2.5671 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2649 2.7177 -2.4637 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6220 3.3995 -2.5260 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8611 4.1971 -1.5623 H 0 0 0 0 0 0 0 0 0 0 0 0
1 5 2 0 0 0 0
1 6 2 0 0 0 0
1 11 1 0 0 0 0
1 25 1 0 0 0 0
2 29 1 0 0 0 0
3 29 1 0 0 0 0
4 29 1 0 0 0 0
7 10 1 0 0 0 0
7 15 1 0 0 0 0
7 32 1 0 0 0 0
8 14 1 0 0 0 0
8 15 2 0 0 0 0
9 14 2 0 0 0 0
9 23 1 0 0 0 0
10 13 1 0 0 0 0
10 30 1 0 0 0 0
10 31 1 0 0 0 0
11 16 2 0 0 0 0
11 17 1 0 0 0 0
12 14 1 0 0 0 0
12 18 2 0 0 0 0
12 19 1 0 0 0 0
13 20 1 0 0 0 0
13 24 2 0 0 0 0
15 21 1 0 0 0 0
16 18 1 0 0 0 0
16 33 1 0 0 0 0
17 19 2 0 0 0 0
17 34 1 0 0 0 0
18 35 1 0 0 0 0
19 36 1 0 0 0 0
20 22 2 0 0 0 0
20 37 1 0 0 0 0
21 23 2 0 0 0 0
21 38 1 0 0 0 0
22 26 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 27 1 0 0 0 0
24 39 1 0 0 0 0
25 40 1 0 0 0 0
25 41 1 0 0 0 0
25 42 1 0 0 0 0
26 27 2 0 0 0 0
26 43 1 0 0 0 0
27 44 1 0 0 0 0
28 45 1 0 0 0 0
28 46 1 0 0 0 0
28 47 1 0 0 0 0
M END
$$$$