B9GJ6K -OEChem-04042106333D 42 44 0 0 0 0 0 0 0999 V2000 -2.5318 1.0414 2.2274 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4593 -2.4479 1.8988 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7244 -2.5059 -0.1689 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3711 0.3642 -0.7357 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3757 -1.9565 0.7495 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0427 0.4978 -1.1021 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0722 -0.5116 -1.5971 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0713 0.5957 0.3927 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4385 -0.2050 -1.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5916 0.3673 0.2297 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4036 0.6984 1.0582 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0297 0.5944 1.1561 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4142 0.5005 0.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5811 -0.5440 -1.7812 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8711 0.6119 0.7432 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0448 -0.7292 0.4773 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0422 0.4096 -0.2653 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8543 -0.2953 -1.2683 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0976 1.6847 0.3902 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9986 0.2835 -0.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3587 -0.7747 0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4115 1.6393 -0.0756 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0894 1.5893 -1.0248 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0382 -0.9080 -0.9289 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2684 1.4891 -1.5176 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0622 0.2119 -1.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7922 -1.5286 -1.2969 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0927 -0.4833 -2.6931 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0428 0.6639 2.2393 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4859 -1.0043 -2.7615 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0102 1.0556 1.7254 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6206 2.6517 0.5326 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7337 -0.5567 -1.8497 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9909 0.4744 0.3891 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8194 -1.7493 -0.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8998 2.5879 -0.2758 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1054 1.3882 -1.3826 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1926 2.2090 -0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5907 2.1643 -1.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0626 -0.7762 -1.2949 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5181 -1.5187 -1.6752 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1139 -1.4627 0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 5 1 0 0 0 0 3 5 2 0 0 0 0 4 17 1 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 11 1 0 0 0 0 8 12 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 13 16 2 0 0 0 0 13 19 1 0 0 0 0 14 18 1 0 0 0 0 14 30 1 0 0 0 0 15 20 1 0 0 0 0 15 31 1 0 0 0 0 16 21 1 0 0 0 0 17 21 2 0 0 0 0 17 22 1 0 0 0 0 18 20 2 0 0 0 0 18 33 1 0 0 0 0 19 22 2 0 0 0 0 19 32 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 M CHG 2 2 -1 5 1 M END $$$$