BD4C0S -OEChem-04012114513D 76 79 0 1 0 0 0 0 0999 V2000 -0.9383 -3.2008 0.9715 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.6474 -0.2626 -0.7934 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1342 0.3156 -1.8684 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5941 -0.6898 0.2198 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2163 -0.7330 0.1989 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2497 4.3862 0.1568 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5843 -1.3882 -0.6564 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6732 6.6513 0.7110 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7283 5.8128 1.2295 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.0640 -1.2694 -2.4365 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.9317 -1.8318 -0.4051 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8916 -1.3993 1.2894 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8824 0.3138 -0.5780 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5457 -0.9292 1.4733 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5284 -2.1097 0.7667 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9568 -0.9250 -0.0187 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5735 -0.0677 -0.8392 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9841 1.7062 0.0394 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6940 -3.3684 0.5019 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9882 -2.3645 0.3869 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6291 -1.0671 0.1211 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8122 2.7946 -1.0195 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9250 -1.4229 1.1404 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5228 0.0284 0.6973 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9224 4.1966 -0.4305 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3868 -1.6482 0.7704 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9927 -0.2975 0.5964 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7157 0.0859 -0.5336 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6261 -0.9812 1.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0840 -0.2107 -0.6436 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9849 -1.2841 1.5375 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7281 -0.9060 0.4075 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5039 5.5542 0.6595 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7951 -1.4978 -1.1074 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8272 0.1673 -1.7736 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0964 -1.2028 0.2974 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1859 -0.1358 -1.8662 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8193 -0.8196 -0.8326 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4273 -1.2269 2.2295 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3737 0.3225 -1.5603 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5541 0.0423 1.9816 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1173 -1.6186 2.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4898 -1.8683 1.8366 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9639 1.8221 0.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2341 1.8457 0.8263 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0987 -4.2225 1.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7201 -3.6255 -0.5631 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1284 -2.2785 -0.6971 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2656 -3.3929 0.6529 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8879 -1.2281 -0.9329 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7920 -2.0241 0.6309 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1657 2.7023 -1.5041 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5740 2.6711 -1.7994 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8094 -1.5725 2.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6602 -0.3797 0.9315 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3257 0.9808 0.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2642 0.2105 1.7487 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7545 4.9222 -1.2355 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1432 4.3327 0.3294 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6681 -2.6797 1.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0025 -0.9678 1.3711 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2102 0.6184 -1.3375 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0724 -1.2867 2.5139 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4593 -1.8198 2.3572 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3530 0.7025 -2.5937 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6121 -1.7365 1.0932 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7492 0.1622 -2.7456 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8771 -1.0553 -0.9053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9819 7.5211 1.1319 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7308 6.6346 0.3377 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4492 5.1005 1.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9470 6.7194 1.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3261 -1.0133 -3.0835 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0038 -1.3499 -2.8089 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9141 -2.0354 0.5878 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8334 -1.8873 -0.8664 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 19 1 0 0 0 0 2 16 2 0 0 0 0 3 17 2 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 4 16 1 0 0 0 0 5 14 1 0 0 0 0 5 17 1 0 0 0 0 5 21 1 0 0 0 0 6 25 1 0 0 0 0 6 33 2 0 0 0 0 7 26 1 0 0 0 0 7 34 2 0 0 0 0 8 33 1 0 0 0 0 8 69 1 0 0 0 0 8 70 1 0 0 0 0 9 33 1 0 0 0 0 9 71 1 0 0 0 0 9 72 1 0 0 0 0 10 34 1 0 0 0 0 10 73 1 0 0 0 0 10 74 1 0 0 0 0 11 34 1 0 0 0 0 11 75 1 0 0 0 0 11 76 1 0 0 0 0 12 14 1 0 0 0 0 12 39 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 15 43 1 0 0 0 0 18 22 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 23 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 24 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 25 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 26 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 27 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 28 62 1 0 0 0 0 29 31 2 0 0 0 0 29 63 1 0 0 0 0 30 32 1 0 0 0 0 30 35 2 0 0 0 0 31 32 1 0 0 0 0 31 64 1 0 0 0 0 32 36 2 0 0 0 0 35 37 1 0 0 0 0 35 65 1 0 0 0 0 36 38 1 0 0 0 0 36 66 1 0 0 0 0 37 38 2 0 0 0 0 37 67 1 0 0 0 0 38 68 1 0 0 0 0 M END $$$$