B7I3DW -OEChem-04022102022D 38 40 0 0 0 0 0 0 0999 V2000 5.6808 2.2235 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.9790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.9790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5210 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9813 2.4768 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0640 3.6792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4813 3.3428 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9425 5.0641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.9790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7026 2.0156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9595 2.6847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5116 0.6143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.9790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1504 4.0860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -0.3964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -1.0866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.8310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6405 0.0079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.1690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.1690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7974 1.2926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.7890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.7890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7291 1.9104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3529 5.2557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4033 5.4790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -4.9420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.7890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -6.0159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 18 1 0 0 0 0 2 13 2 0 0 0 0 3 21 1 0 0 0 0 3 23 1 0 0 0 0 4 10 1 0 0 0 0 4 13 1 0 0 0 0 4 26 1 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 5 33 1 0 0 0 0 6 14 2 0 0 0 0 6 22 1 0 0 0 0 7 22 2 0 0 0 0 8 22 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 12 2 0 0 0 0 10 15 1 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 12 14 1 0 0 0 0 15 18 2 0 0 0 0 15 27 1 0 0 0 0 16 19 1 0 0 0 0 16 28 1 0 0 0 0 17 20 2 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 19 21 2 0 0 0 0 19 31 1 0 0 0 0 20 21 1 0 0 0 0 20 32 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 M END $$$$