B1WRQ2
-OEChem-04042105373D
41 44 0 1 0 0 0 0 0999 V2000
-1.5638 -3.0756 -1.2430 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0772 -2.6391 0.8152 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1539 3.5540 -0.5287 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2604 -3.7588 -1.2051 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3485 0.5230 -0.3822 O 0 5 0 0 0 0 0 0 0 0 0 0
5.7653 -1.5263 0.1462 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6193 -1.0415 0.5933 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4730 -0.3325 -0.1063 N 0 3 0 0 0 0 0 0 0 0 0 0
-0.9419 0.2788 0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0011 1.1934 0.0156 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2642 0.9197 0.2792 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4137 0.8502 -0.0276 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6815 -1.9861 0.9088 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0860 2.2625 -0.0531 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7731 -0.4772 0.2507 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7230 -1.4849 0.5779 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6613 2.4930 -0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4568 -2.4425 -0.3258 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.5604 0.4757 0.4989 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4211 1.7743 -0.3302 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1186 -0.8689 0.2245 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1147 3.1811 -0.1787 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5848 -3.4157 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1094 0.0627 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7613 1.3815 -0.3556 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6288 1.3783 0.3803 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4076 2.7210 0.0438 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3111 -1.5800 1.7057 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2180 -2.8758 1.3544 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8740 -1.6084 -0.8944 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8189 -0.5291 0.7942 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1918 2.8120 -0.5517 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3785 -1.9019 0.4424 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9288 4.2167 -0.4387 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1879 -4.3404 0.4324 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3061 -2.9712 0.6930 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5067 2.1356 -0.5961 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6439 1.0328 0.5595 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2495 3.4021 -0.0406 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8855 -2.4232 -1.4877 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9704 -4.3790 -0.9666 H 0 0 0 0 0 0 0 0 0 0 0 0
1 18 1 0 0 0 0
1 40 1 0 0 0 0
2 16 2 0 0 0 0
3 17 2 0 0 0 0
4 23 1 0 0 0 0
4 41 1 0 0 0 0
5 8 1 0 0 0 0
6 8 2 0 0 0 0
7 9 1 0 0 0 0
7 13 1 0 0 0 0
7 16 1 0 0 0 0
8 24 1 0 0 0 0
9 10 2 0 0 0 0
9 11 1 0 0 0 0
10 12 1 0 0 0 0
10 17 1 0 0 0 0
11 14 1 0 0 0 0
11 19 2 0 0 0 0
12 15 2 0 0 0 0
12 20 1 0 0 0 0
13 18 1 0 0 0 0
13 28 1 0 0 0 0
13 29 1 0 0 0 0
14 17 1 0 0 0 0
14 22 2 0 0 0 0
15 16 1 0 0 0 0
15 21 1 0 0 0 0
18 23 1 0 0 0 0
18 30 1 0 0 0 0
19 26 1 0 0 0 0
19 31 1 0 0 0 0
20 25 2 0 0 0 0
20 32 1 0 0 0 0
21 24 2 0 0 0 0
21 33 1 0 0 0 0
22 27 1 0 0 0 0
22 34 1 0 0 0 0
23 35 1 0 0 0 0
23 36 1 0 0 0 0
24 25 1 0 0 0 0
25 37 1 0 0 0 0
26 27 2 0 0 0 0
26 38 1 0 0 0 0
27 39 1 0 0 0 0
M CHG 2 5 -1 8 1
M END
$$$$