B9U1WD
-OEChem-04022112343D
41 42 0 1 0 0 0 0 0999 V2000
2.0055 0.8161 0.3772 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0942 -0.5206 -1.5096 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0404 -0.1730 -0.2845 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.6352 -0.6678 1.1215 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.0541 -0.5194 0.5423 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4447 0.9454 0.4229 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6340 0.2833 0.4784 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5224 1.6465 -0.5663 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0627 1.3855 -0.2911 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2283 -2.1449 1.0289 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2552 0.1249 0.7070 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1143 2.2524 -0.8604 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6764 1.0008 0.1469 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2474 2.0604 -0.6429 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0917 -2.5587 -0.3676 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6775 -0.0077 -0.5552 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7231 0.4408 0.8499 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9760 -2.9122 -1.5092 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8654 -0.9953 -1.1579 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6887 -0.4565 2.0697 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6806 -0.3934 2.1850 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7706 -1.0359 1.1930 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1456 -0.9778 -0.4499 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3829 1.4276 1.4066 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4835 1.0340 0.0853 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7235 2.7240 -0.5285 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7455 1.3033 -1.5842 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9877 -2.7658 1.5208 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2949 -2.3368 1.5685 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1111 -0.6810 1.3377 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4381 3.0895 -1.4744 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9655 2.7447 -1.0858 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7566 0.6675 0.5655 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2381 1.3929 1.0899 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8733 -3.2245 -2.5221 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6491 -0.3696 -1.5949 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2780 -1.4394 -1.9657 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3206 -1.7973 -0.5702 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6587 -0.6788 2.3679 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1914 -1.4095 1.8760 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1912 0.0274 2.9129 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 1 0 0 0 0
1 16 1 0 0 0 0
2 16 2 0 0 0 0
3 16 1 0 0 0 0
3 17 1 0 0 0 0
3 19 1 0 0 0 0
4 5 1 0 0 0 0
4 7 1 0 0 0 0
4 10 1 0 0 0 0
4 21 1 0 0 0 0
5 6 1 0 0 0 0
5 22 1 0 0 0 0
5 23 1 0 0 0 0
6 8 1 0 0 0 0
6 24 1 0 0 0 0
6 25 1 0 0 0 0
7 9 2 0 0 0 0
7 11 1 0 0 0 0
8 9 1 0 0 0 0
8 26 1 0 0 0 0
8 27 1 0 0 0 0
9 12 1 0 0 0 0
10 15 1 0 0 0 0
10 28 1 0 0 0 0
10 29 1 0 0 0 0
11 13 2 0 0 0 0
11 30 1 0 0 0 0
12 14 2 0 0 0 0
12 31 1 0 0 0 0
13 14 1 0 0 0 0
14 32 1 0 0 0 0
15 18 3 0 0 0 0
17 20 1 0 0 0 0
17 33 1 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
19 37 1 0 0 0 0
19 38 1 0 0 0 0
20 39 1 0 0 0 0
20 40 1 0 0 0 0
20 41 1 0 0 0 0
M END
$$$$