B97GOP -OEChem-04042106023D 44 47 0 1 0 0 0 0 0999 V2000 5.4929 0.3872 -0.4229 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8121 -2.3129 -1.0847 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3130 2.9315 -0.9991 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0273 -1.4466 0.1534 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6688 -0.8384 -0.0060 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3265 -2.7763 -0.7580 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4169 -1.9258 -0.7074 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3811 1.5302 0.3861 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6743 1.9846 0.0416 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1347 -2.5800 -0.1798 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4791 -0.4248 1.0689 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7798 0.1946 0.4736 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2753 -2.1080 -0.3275 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2404 -3.6842 0.8718 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9981 -0.7649 -0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3440 -1.4681 -0.3226 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2546 -0.3949 0.0971 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8135 0.3750 -0.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3522 0.7729 -0.6596 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0218 -0.5435 1.2525 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2171 1.7920 -0.2609 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8866 0.4758 1.6514 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4647 2.3913 0.4269 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9844 1.6434 0.8945 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2756 3.7726 0.9019 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5002 3.0175 -2.1687 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4558 -2.9967 -1.1422 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2535 -0.9290 2.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2022 0.3627 1.2893 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5396 0.8334 -0.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2784 0.7800 1.2491 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0899 -3.3373 1.8574 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3790 -4.5461 0.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2750 -4.0295 0.9726 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7311 0.8333 -1.5476 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9527 -1.4491 1.8496 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4837 0.3602 2.5512 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6599 2.4338 1.2102 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5431 4.4906 0.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2331 3.9539 1.1824 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8988 3.9684 1.7803 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7031 3.9885 -2.6323 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7690 2.2506 -2.9031 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4336 2.9992 -1.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 18 1 0 0 0 0 2 16 2 0 0 0 0 3 21 1 0 0 0 0 3 26 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 16 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 6 13 2 0 0 0 0 7 15 2 0 0 0 0 8 18 2 0 0 0 0 8 23 1 0 0 0 0 9 23 2 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 19 21 1 0 0 0 0 19 35 1 0 0 0 0 20 22 2 0 0 0 0 20 36 1 0 0 0 0 21 24 2 0 0 0 0 22 24 1 0 0 0 0 22 37 1 0 0 0 0 23 25 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 M END $$$$