B42TRG
-OEChem-04022109433D
28 28 0 1 0 0 0 0 0999 V2000
0.9953 -1.1862 1.1534 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6982 -2.0046 0.4248 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5666 -1.2147 -1.3895 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8650 -1.1825 -1.1795 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2615 0.5335 0.2481 N 0 0 0 0 0 0 0 0 0 0 0 0
3.1673 0.2962 1.2223 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.5609 0.0353 0.6799 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.5069 1.2175 0.5036 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8821 2.0037 -0.6463 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3883 1.8261 -0.4202 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9271 -0.0931 0.5890 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1842 0.6490 0.2116 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.9200 -1.1047 -0.2249 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6456 0.2243 -1.1723 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4944 -0.3155 1.7152 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5007 1.8356 1.4097 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5405 0.9270 0.2927 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1738 1.5584 -1.6048 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1837 3.0548 -0.6565 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1807 1.8519 -1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0084 2.5979 0.2579 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0456 1.7320 0.2434 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8938 0.4413 -1.9361 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5772 0.7231 -1.4601 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8826 0.6682 2.1278 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0605 0.7360 1.0035 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9456 -2.7587 -0.1518 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5434 -1.3748 -0.5098 H 0 0 0 0 0 0 0 0 0 0 0 0
1 11 2 0 0 0 0
2 13 1 0 0 0 0
2 27 1 0 0 0 0
3 13 2 0 0 0 0
4 14 1 0 0 0 0
4 28 1 0 0 0 0
5 7 1 0 0 0 0
5 10 1 0 0 0 0
5 11 1 0 0 0 0
6 12 1 0 0 0 0
6 25 1 0 0 0 0
6 26 1 0 0 0 0
7 8 1 0 0 0 0
7 13 1 0 0 0 0
7 15 1 0 0 0 0
8 9 1 0 0 0 0
8 16 1 0 0 0 0
8 17 1 0 0 0 0
9 10 1 0 0 0 0
9 18 1 0 0 0 0
9 19 1 0 0 0 0
10 20 1 0 0 0 0
10 21 1 0 0 0 0
11 12 1 0 0 0 0
12 14 1 0 0 0 0
12 22 1 0 0 0 0
14 23 1 0 0 0 0
14 24 1 0 0 0 0
M END
$$$$