B1X2FI
-OEChem-04042102093D
40 43 0 0 0 0 0 0 0999 V2000
-0.8176 3.3015 -0.6668 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2329 -2.5837 1.0172 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0859 -4.0766 -2.1803 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0317 1.1773 -0.4132 O 0 5 0 0 0 0 0 0 0 0 0 0
5.7287 -0.8972 0.2376 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6623 -1.2420 0.7214 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2790 0.2304 -0.0799 N 0 3 0 0 0 0 0 0 0 0 0 0
-1.1590 0.0051 0.3692 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3473 1.0183 0.0103 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5551 0.4610 0.3123 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0983 0.8644 -0.0275 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5880 -2.2997 1.1013 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5587 1.7940 -0.0982 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6325 -0.3849 0.3226 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1780 2.2013 -0.3056 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7273 -1.5028 0.7177 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2990 -2.9114 -0.0986 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7799 -0.1381 0.5703 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9725 1.8953 -0.3930 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0182 -0.5948 0.3051 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7012 2.5585 -0.2657 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8749 0.4413 -0.0613 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3531 1.6836 -0.4094 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3371 -3.5507 -1.0927 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9596 0.6057 0.4110 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9205 1.9441 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0252 -3.0991 1.6000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2696 -1.9341 1.8742 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0098 -3.6706 0.2506 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8941 -2.1904 -0.6631 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6061 2.8785 -0.6712 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9034 -1.1487 0.9294 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4142 -1.5695 0.5793 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6559 3.5927 -0.5865 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9904 2.5150 -0.7004 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6319 -2.8194 -1.4982 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7779 -4.3676 -0.6258 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9190 0.1394 0.6210 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8461 2.5009 -0.1185 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4503 -4.4814 -2.7950 H 0 0 0 0 0 0 0 0 0 0 0 0
1 15 2 0 0 0 0
2 16 2 0 0 0 0
3 24 1 0 0 0 0
3 40 1 0 0 0 0
4 7 1 0 0 0 0
5 7 2 0 0 0 0
6 8 1 0 0 0 0
6 12 1 0 0 0 0
6 16 1 0 0 0 0
7 22 1 0 0 0 0
8 9 2 0 0 0 0
8 10 1 0 0 0 0
9 11 1 0 0 0 0
9 15 1 0 0 0 0
10 13 1 0 0 0 0
10 18 2 0 0 0 0
11 14 2 0 0 0 0
11 19 1 0 0 0 0
12 17 1 0 0 0 0
12 27 1 0 0 0 0
12 28 1 0 0 0 0
13 15 1 0 0 0 0
13 21 2 0 0 0 0
14 16 1 0 0 0 0
14 20 1 0 0 0 0
17 24 1 0 0 0 0
17 29 1 0 0 0 0
17 30 1 0 0 0 0
18 25 1 0 0 0 0
18 32 1 0 0 0 0
19 23 2 0 0 0 0
19 31 1 0 0 0 0
20 22 2 0 0 0 0
20 33 1 0 0 0 0
21 26 1 0 0 0 0
21 34 1 0 0 0 0
22 23 1 0 0 0 0
23 35 1 0 0 0 0
24 36 1 0 0 0 0
24 37 1 0 0 0 0
25 26 2 0 0 0 0
25 38 1 0 0 0 0
26 39 1 0 0 0 0
M CHG 2 4 -1 7 1
M END
$$$$