B3QVT7 -OEChem-04042103373D 55 58 0 1 0 0 0 0 0999 V2000 -5.6595 -1.2183 1.3468 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7131 4.5150 0.6945 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1864 1.1135 -3.5050 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1664 -0.4648 0.3200 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1219 1.7015 0.4905 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.0877 1.3829 -1.5343 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2055 0.3138 -1.6250 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8697 -1.6155 -0.2431 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3764 -1.4317 -0.0428 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5130 -0.1471 1.7026 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0266 -0.0294 1.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1519 0.1494 -0.3291 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1454 -2.6663 -0.4909 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0188 1.2352 -0.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4239 1.7589 -0.1576 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9879 0.6252 0.4729 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0049 2.3870 1.7694 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8415 0.3917 -0.6236 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3249 -0.5826 0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1688 0.9416 -2.2853 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7033 -1.8505 -0.2372 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1216 3.6143 1.6223 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7328 0.1197 -1.9877 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4411 -0.3262 1.6409 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5871 -2.1069 -1.6132 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1048 -1.1272 -2.4815 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1867 -2.8246 0.6514 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9234 -1.3059 2.5092 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2955 -2.5527 2.0154 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5223 -2.5153 0.2797 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6499 -1.7526 -1.3079 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7356 -0.5643 -0.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0802 0.8010 2.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1411 -0.9469 2.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4089 0.8339 1.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3086 0.1010 2.8755 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8525 -3.5456 0.0934 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9774 -2.8766 -1.5514 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2195 -2.5256 -0.3286 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2054 2.1679 0.4956 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 2.4720 -0.9925 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9591 0.4293 1.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9875 2.7078 2.1354 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6002 1.7160 2.5354 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6454 1.8860 -2.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 4.1264 2.5868 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8899 3.3748 1.2814 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3927 0.8719 -2.6931 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1774 0.6276 2.0835 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8736 -3.0739 -2.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0269 -1.3360 -3.5445 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4835 -3.8062 0.2876 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0107 -1.0947 3.5711 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6714 -3.3147 2.6919 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1318 5.2927 0.6418 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 22 1 0 0 0 0 2 55 1 0 0 0 0 3 20 2 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 4 12 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 5 17 1 0 0 0 0 6 14 1 0 0 0 0 6 20 1 0 0 0 0 6 45 1 0 0 0 0 7 12 2 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 13 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 16 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 16 2 0 0 0 0 15 18 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 17 22 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 21 1 0 0 0 0 19 24 2 0 0 0 0 21 25 1 0 0 0 0 21 27 2 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 26 1 0 0 0 0 23 48 1 0 0 0 0 24 28 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 27 29 1 0 0 0 0 27 52 1 0 0 0 0 28 29 2 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 M END $$$$