BL3UT2 -OEChem-04042106113D 48 50 0 0 0 0 0 0 0999 V2000 -5.3032 -1.2423 -0.4195 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5248 2.7120 -1.1943 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5346 3.0535 0.8052 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4121 -2.3859 -0.0297 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1192 -2.8329 1.2287 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6438 -0.1593 -0.6362 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0173 -0.3006 -1.3876 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6496 0.9075 0.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0828 -0.1190 -0.5895 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1845 0.8617 0.3258 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2020 0.5360 1.8466 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1783 2.3239 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9181 -1.3074 -0.3478 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4419 -1.1921 -0.4671 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7837 -1.8068 0.1665 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5988 -1.9582 0.3236 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2656 -0.8848 -0.7855 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7033 -2.5456 0.9288 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6496 -0.7180 -0.9582 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3215 -0.1688 -1.5244 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5488 -1.4599 -0.1925 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0767 -2.3717 0.7488 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4936 0.4905 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1349 0.9634 1.2352 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0011 1.3701 -0.9831 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2839 2.3161 1.5416 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1501 2.7227 -0.6769 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7916 3.1957 0.5855 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4745 -1.1189 -0.3684 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4069 0.1280 -1.6076 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5344 1.0694 -0.6917 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6391 1.6113 0.9839 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5716 -0.1208 0.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6491 1.2116 2.5851 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1149 0.6087 1.9623 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5024 -0.4858 2.1035 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1485 0.6776 -0.9306 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3676 -3.2652 1.6722 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0119 -0.0087 -1.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6249 0.5572 -2.2738 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2034 3.6158 -1.3993 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7638 -2.9579 1.3545 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0817 -2.7333 1.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7430 0.2956 1.9985 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2853 1.0199 -1.9723 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0060 2.6843 2.5248 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5451 3.4079 -1.4212 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9079 4.2489 0.8239 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 23 1 0 0 0 0 2 12 1 0 0 0 0 2 41 1 0 0 0 0 3 12 2 0 0 0 0 4 13 2 0 0 0 0 5 16 1 0 0 0 0 5 43 1 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 6 37 1 0 0 0 0 7 14 2 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 13 14 1 0 0 0 0 14 16 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 2 0 0 0 0 18 22 2 0 0 0 0 18 38 1 0 0 0 0 19 21 2 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 24 44 1 0 0 0 0 25 27 2 0 0 0 0 25 45 1 0 0 0 0 26 28 2 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 M END $$$$