BY5A2B
-OEChem-04012118392D
44 47 0 0 0 0 0 0 0999 V2000
3.7817 -3.7122 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.7017 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
7.2622 -2.6776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3961 0.8224 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.9710 1.1543 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5301 -2.6776 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.8314 2.5554 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7884 2.9679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.5102 -0.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4607 -0.8719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3039 0.4173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5301 0.3224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5301 -0.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4992 1.8111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6641 -1.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2050 -0.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6669 -1.8504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4777 2.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6641 -2.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3961 -1.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7702 -0.6429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3961 -2.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7702 -2.7122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8641 -1.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8641 -2.1984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1420 3.5060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1205 3.7122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8905 -0.5818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4228 -1.1750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3328 -0.2652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3181 0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9196 0.2148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6190 -0.6655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6664 0.2100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7909 0.2574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0602 -1.9782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7948 -2.4570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2736 -1.7225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9331 -0.8676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7773 -0.0230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5301 -3.2976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3284 -0.8447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7280 3.9674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3131 4.3015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 23 1 0 0 0 0
2 25 1 0 0 0 0
3 22 2 0 0 0 0
4 11 1 0 0 0 0
4 12 1 0 0 0 0
4 14 1 0 0 0 0
5 11 2 0 0 0 0
5 18 1 0 0 0 0
6 19 1 0 0 0 0
6 22 1 0 0 0 0
6 41 1 0 0 0 0
7 14 2 0 0 0 0
7 26 1 0 0 0 0
8 18 2 0 0 0 0
8 27 1 0 0 0 0
9 10 1 0 0 0 0
9 11 1 0 0 0 0
9 28 1 0 0 0 0
9 29 1 0 0 0 0
10 16 1 0 0 0 0
10 17 1 0 0 0 0
10 30 1 0 0 0 0
12 13 1 0 0 0 0
12 31 1 0 0 0 0
12 32 1 0 0 0 0
13 15 1 0 0 0 0
13 20 2 0 0 0 0
14 18 1 0 0 0 0
15 19 2 0 0 0 0
15 21 1 0 0 0 0
16 33 1 0 0 0 0
16 34 1 0 0 0 0
16 35 1 0 0 0 0
17 36 1 0 0 0 0
17 37 1 0 0 0 0
17 38 1 0 0 0 0
19 23 1 0 0 0 0
20 22 1 0 0 0 0
20 39 1 0 0 0 0
21 24 2 0 0 0 0
21 40 1 0 0 0 0
23 25 2 0 0 0 0
24 25 1 0 0 0 0
24 42 1 0 0 0 0
26 27 2 0 0 0 0
26 43 1 0 0 0 0
27 44 1 0 0 0 0
M END
$$$$