BVR52F
-OEChem-04022112543D
40 42 0 0 0 0 0 0 0999 V2000
4.6235 -0.5174 -0.0006 S 0 0 0 0 0 0 0 0 0 0 0 0
5.1497 -1.0241 1.2594 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1271 -1.0475 -1.2596 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4979 -1.6651 0.0010 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3331 -1.1220 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1807 -0.0142 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1110 -0.9762 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8863 -0.6940 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6632 1.3368 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8046 -0.9070 -1.2073 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8051 -0.9042 1.2087 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8687 -2.4101 0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5638 -0.1944 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1922 -0.7659 -1.2078 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1927 -0.7631 1.2083 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0995 -1.4823 0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2518 -2.5902 0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4139 1.9887 1.2071 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4137 1.9875 -1.2088 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8891 1.2413 -0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9150 3.2914 1.2066 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9147 3.2900 -1.2095 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6655 3.9420 -0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2786 -0.9600 -2.1577 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2795 -0.9552 2.1594 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2240 -3.2861 0.0023 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2310 0.6657 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7109 -0.7067 -2.1605 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7126 -0.7024 2.1602 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6570 -3.5989 0.0024 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6029 1.4963 2.1581 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6025 1.4941 -2.1594 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9663 1.4214 -0.0078 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4363 1.6677 -0.8997 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4442 1.6690 0.8979 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7205 3.7989 2.1469 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7200 3.7966 -2.1502 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2768 4.9561 -0.0023 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8863 -2.5989 0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1135 -0.8627 0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 2 0 0 0 0
1 8 1 0 0 0 0
1 20 1 0 0 0 0
4 16 1 0 0 0 0
4 39 1 0 0 0 0
4 40 1 0 0 0 0
5 6 2 0 0 0 0
5 7 1 0 0 0 0
5 12 1 0 0 0 0
6 9 1 0 0 0 0
6 13 1 0 0 0 0
7 10 2 0 0 0 0
7 11 1 0 0 0 0
8 14 2 0 0 0 0
8 15 1 0 0 0 0
9 18 2 0 0 0 0
9 19 1 0 0 0 0
10 14 1 0 0 0 0
10 24 1 0 0 0 0
11 15 2 0 0 0 0
11 25 1 0 0 0 0
12 17 2 0 0 0 0
12 26 1 0 0 0 0
13 16 2 0 0 0 0
13 27 1 0 0 0 0
14 28 1 0 0 0 0
15 29 1 0 0 0 0
16 17 1 0 0 0 0
17 30 1 0 0 0 0
18 21 1 0 0 0 0
18 31 1 0 0 0 0
19 22 2 0 0 0 0
19 32 1 0 0 0 0
20 33 1 0 0 0 0
20 34 1 0 0 0 0
20 35 1 0 0 0 0
21 23 2 0 0 0 0
21 36 1 0 0 0 0
22 23 1 0 0 0 0
22 37 1 0 0 0 0
23 38 1 0 0 0 0
M END
$$$$