B5V9FC
-OEChem-04022111453D
36 38 0 0 0 0 0 0 0999 V2000
4.4215 0.6215 -0.0007 S 0 0 0 0 0 0 0 0 0 0 0 0
-3.4991 -2.2700 0.0017 S 0 0 0 0 0 0 0 0 0 0 0 0
5.0913 0.3271 1.2588 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0769 0.2995 -1.2603 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9001 4.2750 -0.0016 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9442 -1.9991 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3460 -1.3690 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1112 -1.2671 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8528 -0.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9728 -1.0632 -1.2078 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9726 -1.0625 1.2083 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3142 0.1660 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2261 -0.4512 -1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2260 -0.4506 1.2081 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1929 -3.4021 0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5402 -3.6888 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0627 2.3636 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4121 0.8560 -1.2082 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4123 0.8570 1.2077 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6080 2.2369 -1.2089 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6082 2.2379 1.2072 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7060 2.9280 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4972 -1.2936 -2.1583 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4970 -1.2924 2.1589 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6921 -0.2156 -2.1606 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6931 -0.2147 2.1602 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4276 -4.1685 0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0073 -4.6634 0.0026 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0112 2.9050 -0.0062 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4901 2.6079 -0.8977 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4978 2.6104 0.8999 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3366 0.3326 -2.1585 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3370 0.3346 2.1585 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6827 2.7628 -2.1569 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6839 2.7707 2.1511 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9444 4.5866 -0.9219 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0 0 0 0
1 4 2 0 0 0 0
1 9 1 0 0 0 0
1 17 1 0 0 0 0
2 8 1 0 0 0 0
2 16 1 0 0 0 0
5 22 1 0 0 0 0
5 36 1 0 0 0 0
6 7 1 0 0 0 0
6 8 2 0 0 0 0
6 15 1 0 0 0 0
7 10 2 0 0 0 0
7 11 1 0 0 0 0
8 12 1 0 0 0 0
9 13 2 0 0 0 0
9 14 1 0 0 0 0
10 13 1 0 0 0 0
10 23 1 0 0 0 0
11 14 2 0 0 0 0
11 24 1 0 0 0 0
12 18 2 0 0 0 0
12 19 1 0 0 0 0
13 25 1 0 0 0 0
14 26 1 0 0 0 0
15 16 2 0 0 0 0
15 27 1 0 0 0 0
16 28 1 0 0 0 0
17 29 1 0 0 0 0
17 30 1 0 0 0 0
17 31 1 0 0 0 0
18 20 1 0 0 0 0
18 32 1 0 0 0 0
19 21 2 0 0 0 0
19 33 1 0 0 0 0
20 22 2 0 0 0 0
20 34 1 0 0 0 0
21 22 1 0 0 0 0
21 35 1 0 0 0 0
M END
$$$$