BRG31Y
-OEChem-04012113043D
43 45 0 1 0 0 0 0 0999 V2000
-4.1688 -3.0001 0.0923 S 0 0 0 0 0 0 0 0 0 0 0 0
-2.1413 5.0402 -0.2175 S 0 0 1 0 0 0 0 0 0 0 0 0
5.3028 -2.3320 0.0489 F 0 0 0 0 0 0 0 0 0 0 0 0
5.6397 -0.5264 -1.1044 F 0 0 0 0 0 0 0 0 0 0 0 0
5.6232 -0.4380 1.0682 F 0 0 0 0 0 0 0 0 0 0 0 0
-4.2978 -3.8667 1.2551 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1010 -1.8964 -0.0934 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0375 5.8075 1.0841 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3563 -0.8808 0.0015 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0505 0.5540 -0.0560 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7386 0.4338 -0.0493 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0543 -1.3802 0.0229 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8097 1.5366 -0.0896 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4916 -1.6409 0.0283 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5389 -2.3746 0.0659 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5239 -0.7332 -0.0084 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2094 -2.5785 0.6734 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9616 -0.6725 -0.6064 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5115 -3.0780 0.6949 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2639 -1.1718 -0.5849 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3586 2.0239 -1.3162 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3626 2.1155 1.0981 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9703 -0.9993 -0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9868 3.6695 -0.1674 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5395 3.0905 -1.3551 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5357 3.1820 1.0592 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2748 -4.0180 -1.3624 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7139 4.1338 -0.1807 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4943 -2.7225 0.0516 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5613 -3.1435 1.1900 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8281 0.1465 -1.2814 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7024 -4.0179 1.2052 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0420 -0.6328 -1.1186 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7120 1.5979 -2.2529 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7040 1.7457 2.0620 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8792 3.4617 -2.3187 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8739 3.6143 1.9971 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0988 -3.3981 -2.2436 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2782 -4.4473 -1.4032 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5319 -4.8148 -1.2930 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7624 3.5142 0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5317 4.8580 -0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7928 3.5086 -1.0731 H 0 0 0 0 0 0 0 0 0 0 0 0
1 6 2 0 0 0 0
1 7 2 0 0 0 0
1 15 1 0 0 0 0
1 27 1 0 0 0 0
2 8 2 0 0 0 0
2 24 1 0 0 0 0
2 28 1 0 0 0 0
3 23 1 0 0 0 0
4 23 1 0 0 0 0
5 23 1 0 0 0 0
9 11 1 0 0 0 0
9 12 1 0 0 0 0
9 14 1 0 0 0 0
10 11 2 0 0 0 0
10 16 1 0 0 0 0
11 13 1 0 0 0 0
12 17 2 0 0 0 0
12 18 1 0 0 0 0
13 21 2 0 0 0 0
13 22 1 0 0 0 0
14 16 2 0 0 0 0
14 29 1 0 0 0 0
15 19 2 0 0 0 0
15 20 1 0 0 0 0
16 23 1 0 0 0 0
17 19 1 0 0 0 0
17 30 1 0 0 0 0
18 20 2 0 0 0 0
18 31 1 0 0 0 0
19 32 1 0 0 0 0
20 33 1 0 0 0 0
21 25 1 0 0 0 0
21 34 1 0 0 0 0
22 26 2 0 0 0 0
22 35 1 0 0 0 0
24 25 2 0 0 0 0
24 26 1 0 0 0 0
25 36 1 0 0 0 0
26 37 1 0 0 0 0
27 38 1 0 0 0 0
27 39 1 0 0 0 0
27 40 1 0 0 0 0
28 41 1 0 0 0 0
28 42 1 0 0 0 0
28 43 1 0 0 0 0
M END
$$$$