BRX9K5
-OEChem-04022112323D
30 30 0 1 0 0 0 0 0999 V2000
3.1583 1.3907 -1.1934 S 0 0 0 0 0 0 0 0 0 0 0 0
0.2032 -1.3347 1.6627 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4492 -0.1282 0.1253 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4387 -2.8244 -0.6732 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.7363 2.4098 0.1464 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5398 -1.3708 -0.5976 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.9810 -0.9538 -0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4223 0.3521 1.0990 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3977 -0.9519 0.5076 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7723 0.2299 -1.2501 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1322 0.5686 -0.1806 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0156 1.6517 0.5885 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5905 0.9610 0.0585 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2767 -0.9769 -1.5785 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3234 -1.4140 0.6436 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6435 -1.3245 -1.0862 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1938 -0.4223 1.1953 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9580 0.4774 2.0827 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0400 -0.6696 -1.8117 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9159 0.7251 -1.7152 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7699 1.0398 -1.1029 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5149 0.9496 0.6419 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3338 2.4896 0.7646 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9817 1.8763 1.0476 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9552 0.5052 0.9857 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2169 0.5923 -0.7609 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4954 -3.0882 -0.9856 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0835 -3.1784 -1.3789 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1793 2.7639 0.9231 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7056 2.6394 0.3615 H 0 0 0 0 0 0 0 0 0 0 0 0
1 10 1 0 0 0 0
1 12 1 0 0 0 0
2 9 2 0 0 0 0
3 8 1 0 0 0 0
3 9 1 0 0 0 0
3 10 1 0 0 0 0
4 6 1 0 0 0 0
4 27 1 0 0 0 0
4 28 1 0 0 0 0
5 13 1 0 0 0 0
5 29 1 0 0 0 0
5 30 1 0 0 0 0
6 7 1 0 0 0 0
6 9 1 0 0 0 0
6 14 1 0 0 0 0
7 11 1 0 0 0 0
7 15 1 0 0 0 0
7 16 1 0 0 0 0
8 12 1 0 0 0 0
8 17 1 0 0 0 0
8 18 1 0 0 0 0
10 19 1 0 0 0 0
10 20 1 0 0 0 0
11 13 1 0 0 0 0
11 21 1 0 0 0 0
11 22 1 0 0 0 0
12 23 1 0 0 0 0
12 24 1 0 0 0 0
13 25 1 0 0 0 0
13 26 1 0 0 0 0
M END
$$$$