BX1DI5 -OEChem-04022102183D 33 36 0 0 0 0 0 0 0999 V2000 -5.9937 -0.2566 0.9437 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.9515 0.9949 -0.8593 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3827 -1.2209 -0.0906 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9877 1.2085 0.0810 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3651 0.3427 0.0380 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0016 -1.1782 -0.1094 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1357 -0.0347 0.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3170 0.0949 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4024 1.1663 0.0924 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1596 0.1593 0.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8046 -2.5218 -0.1993 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5535 -2.4752 -0.2739 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6881 -3.3198 -0.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5317 -0.0390 0.0345 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1077 2.3699 0.1904 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8797 -0.4989 1.0063 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8331 0.8784 -0.9781 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2120 1.1744 0.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5041 2.3741 0.2106 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2730 -0.4382 1.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2266 0.9392 -0.9686 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9465 0.2808 0.0284 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8515 -2.7920 -0.1948 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4785 -2.7886 -0.3493 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6936 -4.3948 -0.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1108 -0.9545 -0.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5733 3.3148 0.2528 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3695 -1.0553 1.7884 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2839 1.3932 -1.7623 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2982 1.1860 0.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0411 3.3153 0.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8008 -0.9615 1.8091 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7176 1.5081 -1.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 5 2 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 11 1 0 0 0 0 4 8 2 0 0 0 0 4 9 1 0 0 0 0 5 22 1 0 0 0 0 6 8 1 0 0 0 0 6 12 2 0 0 0 0 7 9 1 0 0 0 0 7 14 2 0 0 0 0 8 10 1 0 0 0 0 9 15 2 0 0 0 0 10 16 2 0 0 0 0 10 17 1 0 0 0 0 11 13 2 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 14 18 1 0 0 0 0 14 26 1 0 0 0 0 15 19 1 0 0 0 0 15 27 1 0 0 0 0 16 20 1 0 0 0 0 16 28 1 0 0 0 0 17 21 2 0 0 0 0 17 29 1 0 0 0 0 18 19 2 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 20 22 2 0 0 0 0 20 32 1 0 0 0 0 21 22 1 0 0 0 0 21 33 1 0 0 0 0 M CHG 2 1 -1 5 1 M END $$$$