BET3Q7
-OEChem-04012112413D
37 39 0 0 0 0 0 0 0999 V2000
4.7748 -0.5149 0.0010 S 0 0 0 0 0 0 0 0 0 0 0 0
-2.4150 3.3950 0.0051 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2076 1.9669 0.0545 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3969 -0.2080 -1.2754 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4288 -0.1866 1.2570 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0118 -4.3902 -0.0058 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7870 1.7746 -0.0159 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9577 1.1235 0.0065 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5719 1.2141 -0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9958 3.2416 -0.0572 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2324 -0.3132 0.0035 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1600 0.1493 -0.0036 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2170 0.9170 -1.2171 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2330 0.9738 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0047 2.1660 0.0282 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5071 0.3863 -1.2131 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5230 0.4432 1.2021 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3360 -1.0064 1.2095 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3903 -0.9902 -1.2058 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5302 -2.3516 0.0457 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5975 -2.3764 1.2062 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6517 -2.3604 -1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7552 -3.0535 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5490 3.7501 0.8027 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6289 3.6908 -0.9852 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7210 1.0943 -2.1686 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7495 1.1960 2.1466 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9809 0.1586 -2.1638 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0106 0.2609 2.1555 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2152 -0.4924 2.1601 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3121 -0.4637 -2.1539 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9879 -2.5969 0.9602 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9690 -2.6374 -0.8454 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5209 -2.8099 0.0451 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6760 -2.9048 2.1526 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7738 -2.8823 -2.1542 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0502 -4.7055 0.9135 H 0 0 0 0 0 0 0 0 0 0 0 0
1 4 2 0 0 0 0
1 5 2 0 0 0 0
1 12 1 0 0 0 0
1 20 1 0 0 0 0
2 10 1 0 0 0 0
2 15 1 0 0 0 0
3 15 2 0 0 0 0
6 23 1 0 0 0 0
6 37 1 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
7 10 1 0 0 0 0
8 11 1 0 0 0 0
8 15 1 0 0 0 0
9 13 2 0 0 0 0
9 14 1 0 0 0 0
10 24 1 0 0 0 0
10 25 1 0 0 0 0
11 18 2 0 0 0 0
11 19 1 0 0 0 0
12 16 2 0 0 0 0
12 17 1 0 0 0 0
13 16 1 0 0 0 0
13 26 1 0 0 0 0
14 17 2 0 0 0 0
14 27 1 0 0 0 0
16 28 1 0 0 0 0
17 29 1 0 0 0 0
18 21 1 0 0 0 0
18 30 1 0 0 0 0
19 22 2 0 0 0 0
19 31 1 0 0 0 0
20 32 1 0 0 0 0
20 33 1 0 0 0 0
20 34 1 0 0 0 0
21 23 2 0 0 0 0
21 35 1 0 0 0 0
22 23 1 0 0 0 0
22 36 1 0 0 0 0
M END
$$$$