B3YDQ5
-OEChem-04042103553D
43 44 0 0 0 0 0 0 0999 V2000
-1.2971 1.7154 -0.4861 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.6066 2.7467 0.4915 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4447 1.9887 -1.9063 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3507 0.2517 0.5216 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5471 -2.6179 -0.1955 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.2922 0.3081 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5695 -0.6037 -1.1755 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8025 0.0991 1.1243 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3921 1.2805 -0.1851 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8676 -1.9335 0.3686 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3572 -1.7244 -0.9127 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5903 -1.0217 1.3869 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0390 -0.4145 -2.5594 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5247 1.0532 2.2400 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1721 0.7591 -1.2174 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9424 1.4562 1.0845 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7092 -3.1323 0.6481 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0527 0.5891 0.2898 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5022 0.4133 -0.9798 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2726 1.1104 1.3220 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8930 -0.8145 -0.2565 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9758 -1.5091 0.5540 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5801 -2.4379 -1.7026 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9937 -1.1893 2.3828 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2361 -1.3149 -3.1574 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9586 -0.3142 -2.5935 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5613 0.3862 -3.0907 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9089 0.6450 3.1847 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0600 1.9977 2.1096 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4634 1.1901 2.4248 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7954 0.6567 -2.2275 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3831 1.8964 1.9006 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7617 -2.9068 0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4078 -3.9805 0.0239 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6096 -3.4519 1.6910 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0853 0.0460 -1.8192 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6989 1.2576 2.3106 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1251 -1.5588 -0.5070 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3144 -0.4008 -1.1806 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7602 -0.7921 0.8224 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5564 -1.8773 1.4971 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3045 -3.0362 0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9667 -2.2711 -1.0571 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 6 1 0 0 0 0
1 9 1 0 0 0 0
4 18 1 0 0 0 0
4 21 1 0 0 0 0
5 22 1 0 0 0 0
5 42 1 0 0 0 0
5 43 1 0 0 0 0
6 7 2 0 0 0 0
6 8 1 0 0 0 0
7 11 1 0 0 0 0
7 13 1 0 0 0 0
8 12 2 0 0 0 0
8 14 1 0 0 0 0
9 15 2 0 0 0 0
9 16 1 0 0 0 0
10 11 2 0 0 0 0
10 12 1 0 0 0 0
10 17 1 0 0 0 0
11 23 1 0 0 0 0
12 24 1 0 0 0 0
13 25 1 0 0 0 0
13 26 1 0 0 0 0
13 27 1 0 0 0 0
14 28 1 0 0 0 0
14 29 1 0 0 0 0
14 30 1 0 0 0 0
15 19 1 0 0 0 0
15 31 1 0 0 0 0
16 20 2 0 0 0 0
16 32 1 0 0 0 0
17 33 1 0 0 0 0
17 34 1 0 0 0 0
17 35 1 0 0 0 0
18 19 2 0 0 0 0
18 20 1 0 0 0 0
19 36 1 0 0 0 0
20 37 1 0 0 0 0
21 22 1 0 0 0 0
21 38 1 0 0 0 0
21 39 1 0 0 0 0
22 40 1 0 0 0 0
22 41 1 0 0 0 0
M END
$$$$