B2C1NS -OEChem-04022100182D 107110 0 1 0 0 0 0 0999 V2000 5.7680 -0.1354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5687 -1.2374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5687 -4.7014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7825 1.8861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0478 3.2530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0687 -3.8354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0687 -2.1034 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1208 0.3998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5687 -2.9694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5687 -2.9694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4005 3.7882 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5687 -1.2374 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5687 -1.2374 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5298 -1.6034 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5298 -2.6034 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4809 -1.2944 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5836 -1.2986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5836 -2.9081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4809 -2.9124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7899 -0.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0687 -2.1034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5687 -2.9694 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0687 -3.8354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4298 1.3509 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5687 -4.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9347 -4.3354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2026 -3.3354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5687 -4.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0687 -3.8354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0687 -3.8354 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4079 1.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0687 -5.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5687 -4.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7607 2.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5687 -6.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0687 -5.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5687 -6.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7170 2.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0697 3.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6951 2.7178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5687 -2.9694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7096 4.7393 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0687 -2.1034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0404 5.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6877 4.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0687 -2.1034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3494 6.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0687 -0.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0687 -0.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5290 -0.9834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5290 -3.2234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0932 -1.1974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8346 -0.7317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0462 -0.9894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0462 -3.2173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8346 -3.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2287 -3.4788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0178 -3.2224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5391 -1.6886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5391 -2.5181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8787 -2.4325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5143 0.2709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8787 -2.4325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8233 1.2220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0317 -4.3914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2587 -5.2384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1056 -5.0114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6247 -4.8724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4716 -4.6454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2447 -3.7985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5126 -2.7985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6657 -3.0254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8926 -3.8724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9487 -4.7014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6887 -3.8354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4296 0.9392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0219 1.4725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5937 -5.1690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5937 -5.9660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1513 -4.4894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4610 -4.0909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9861 -6.6456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6763 -7.0441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5436 -5.9660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5436 -5.1690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4610 -7.0441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1513 -6.6456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6953 3.1295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1030 2.5962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2587 -2.4325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8240 2.1113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3016 2.8467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5662 3.3242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7941 3.6593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1031 4.6104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4930 5.7735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6587 4.9939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8166 4.3408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2942 5.0761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5588 5.5537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3787 -2.6403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9391 6.2419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5410 7.0232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7598 6.6251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7587 0.1656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3787 0.1656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 2 0 0 0 0 2 22 2 0 0 0 0 3 30 2 0 0 0 0 4 35 2 0 0 0 0 5 40 2 0 0 0 0 6 42 2 0 0 0 0 7 16 1 0 0 0 0 7 19 1 0 0 0 0 7 22 1 0 0 0 0 8 21 1 0 0 0 0 8 25 1 0 0 0 0 8 63 1 0 0 0 0 23 9 1 1 0 0 0 9 30 1 0 0 0 0 9 64 1 0 0 0 0 31 10 1 1 0 0 0 10 42 1 0 0 0 0 10 91 1 0 0 0 0 11 40 1 0 0 0 0 43 11 1 1 0 0 0 11 95 1 0 0 0 0 12 44 2 0 0 0 0 12 49 1 0 0 0 0 13 47 2 0 0 0 0 13 50 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 51 1 0 0 0 0 15 18 1 0 0 0 0 15 19 1 0 0 0 0 15 52 1 0 0 0 0 16 21 1 1 0 0 0 16 53 1 0 0 0 0 17 20 1 0 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 18 20 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 19 58 1 0 0 0 0 19 59 1 0 0 0 0 20 60 1 0 0 0 0 20 61 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 62 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 24 28 1 0 0 0 0 25 32 1 0 0 0 0 25 35 1 0 0 0 0 25 65 1 0 0 0 0 26 66 1 0 0 0 0 26 67 1 0 0 0 0 26 68 1 0 0 0 0 27 69 1 0 0 0 0 27 70 1 0 0 0 0 27 71 1 0 0 0 0 28 72 1 0 0 0 0 28 73 1 0 0 0 0 28 74 1 0 0 0 0 29 31 1 0 0 0 0 29 33 1 0 0 0 0 29 34 1 0 0 0 0 29 75 1 0 0 0 0 30 31 1 0 0 0 0 31 76 1 0 0 0 0 32 39 1 0 0 0 0 32 77 1 0 0 0 0 32 78 1 0 0 0 0 33 36 1 0 0 0 0 33 79 1 0 0 0 0 33 80 1 0 0 0 0 34 37 1 0 0 0 0 34 81 1 0 0 0 0 34 82 1 0 0 0 0 35 40 1 0 0 0 0 36 38 1 0 0 0 0 36 83 1 0 0 0 0 36 84 1 0 0 0 0 37 38 1 0 0 0 0 37 85 1 0 0 0 0 37 86 1 0 0 0 0 38 87 1 0 0 0 0 38 88 1 0 0 0 0 39 41 1 0 0 0 0 39 89 1 0 0 0 0 39 90 1 0 0 0 0 41 92 1 0 0 0 0 41 93 1 0 0 0 0 41 94 1 0 0 0 0 42 44 1 0 0 0 0 43 45 1 0 0 0 0 43 46 1 0 0 0 0 43 96 1 0 0 0 0 44 47 1 0 0 0 0 45 48 1 0 0 0 0 45 97 1 0 0 0 0 45 98 1 0 0 0 0 46 99 1 0 0 0 0 46100 1 0 0 0 0 46101 1 0 0 0 0 47102 1 0 0 0 0 48103 1 0 0 0 0 48104 1 0 0 0 0 48105 1 0 0 0 0 49 50 2 0 0 0 0 49106 1 0 0 0 0 50107 1 0 0 0 0 M END $$$$