B47EGW
-OEChem-04022117103D
40 42 0 0 0 0 0 0 0999 V2000
-4.6204 -1.3760 1.2587 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3931 1.2926 1.1776 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2042 1.1123 1.0849 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1332 -0.5358 -0.4215 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4003 -1.8068 -0.5144 N 0 0 0 0 0 0 0 0 0 0 0 0
1.6126 -1.6933 0.0170 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1270 -0.5205 -2.0412 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2554 -0.0446 -1.1901 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1761 -0.7028 -1.2892 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9231 -0.9388 -0.3532 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2714 0.1226 -1.2437 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6424 1.2949 -1.2301 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9778 -0.4934 0.4437 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4053 -0.1224 -0.0438 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3649 0.8461 0.4036 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6972 1.7402 -0.4334 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9167 1.0848 -0.5200 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1705 -0.9148 0.8120 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1933 1.4996 -0.1404 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4472 -0.5002 1.1913 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9586 0.7070 0.7152 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1624 -2.7267 1.2398 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7259 2.6761 1.0774 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9606 0.1713 -2.8775 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3983 -1.4767 -2.5080 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5803 -1.9680 -0.3658 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4590 1.0732 -1.7214 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1289 2.0023 -1.8761 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9424 2.7934 -0.5158 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3671 1.7406 -1.1869 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8086 -1.8614 1.2048 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5870 2.4409 -0.5142 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0337 -1.1264 1.8584 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7845 -3.2872 1.9456 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1291 -2.8080 1.5942 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3047 -3.1878 0.2565 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5635 2.8561 1.7594 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0736 2.9357 0.0717 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9012 3.3148 1.4116 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5896 0.4446 1.6780 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 1 0 0 0 0
1 22 1 0 0 0 0
2 15 1 0 0 0 0
2 23 1 0 0 0 0
3 21 1 0 0 0 0
3 40 1 0 0 0 0
4 6 1 0 0 0 0
4 11 1 0 0 0 0
4 14 1 0 0 0 0
5 6 2 0 0 0 0
5 9 1 0 0 0 0
7 8 1 0 0 0 0
7 9 1 0 0 0 0
7 24 1 0 0 0 0
7 25 1 0 0 0 0
8 10 2 0 0 0 0
8 12 1 0 0 0 0
9 11 2 0 0 0 0
10 13 1 0 0 0 0
10 26 1 0 0 0 0
11 27 1 0 0 0 0
12 16 2 0 0 0 0
12 28 1 0 0 0 0
13 15 2 0 0 0 0
14 17 2 0 0 0 0
14 18 1 0 0 0 0
15 16 1 0 0 0 0
16 29 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 21 2 0 0 0 0
19 32 1 0 0 0 0
20 21 1 0 0 0 0
20 33 1 0 0 0 0
22 34 1 0 0 0 0
22 35 1 0 0 0 0
22 36 1 0 0 0 0
23 37 1 0 0 0 0
23 38 1 0 0 0 0
23 39 1 0 0 0 0
M END
$$$$