B8E4KZ -OEChem-04042105363D 84 89 0 1 0 0 0 0 0999 V2000 3.7270 0.2408 1.0047 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5414 3.1425 1.5712 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2206 0.5103 -0.1851 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1971 2.0908 3.0738 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4436 -1.1190 1.0758 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0744 -2.4171 0.3399 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6913 -4.4213 1.3857 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1034 1.9370 1.1558 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2145 -2.4263 2.4566 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2632 0.9807 1.6580 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4313 2.5876 0.8352 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9492 1.3541 0.1231 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3941 2.0455 1.7909 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4195 1.6601 -0.0323 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9574 0.6776 2.1355 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7280 2.4026 1.2483 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0951 1.9688 1.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2969 1.7772 0.9367 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2745 0.0741 -1.5411 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3468 -0.9775 2.5096 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1670 -0.6302 3.9832 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2595 -1.7435 4.5042 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7145 -2.9631 3.7177 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8667 3.1363 0.5144 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2506 -0.4037 1.6636 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1405 -1.1481 -1.6286 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7392 3.0469 -0.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6630 -3.1927 1.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5106 -1.0177 -1.8558 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5753 -2.4148 -1.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1761 3.1934 -1.9817 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1086 2.8180 -0.5812 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3155 -2.1540 -1.9372 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3800 -3.5513 -1.5645 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7501 -3.4208 -1.7916 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9826 3.1111 -3.1169 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9151 2.7356 -1.7162 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5570 -3.1229 -0.8089 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3522 2.8821 -2.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9633 -2.1306 -1.8587 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0333 -1.6934 -2.8017 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2706 -1.6454 -1.8915 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4105 -0.7711 -3.7777 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6480 -0.7230 -2.8675 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7179 -0.2859 -3.8107 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0643 3.3616 0.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4388 1.1389 -0.8201 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2890 2.6521 2.6969 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5655 2.3588 -0.8681 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6435 0.7406 2.9873 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1937 -0.0722 2.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9591 1.7245 2.0775 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5712 3.0911 1.1372 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0820 1.7849 0.1514 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9817 1.2030 0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6862 0.8691 -2.1756 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2660 -0.1532 -1.9073 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3183 -0.6550 2.1197 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1360 -0.6926 4.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7472 0.3597 4.1814 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2147 -1.5115 4.2648 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3372 -1.8870 5.5853 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9144 -3.6855 3.5321 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5454 -3.4768 4.2133 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9587 1.4698 2.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4324 3.5953 1.3365 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0485 3.8388 0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9630 -0.0360 -1.9688 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5096 -2.5290 -1.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1101 3.3696 -2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5597 2.7021 0.4006 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3823 -2.0525 -2.1135 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9401 -4.5377 -1.4504 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3767 -4.3056 -1.8548 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5446 3.2254 -4.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9816 2.5585 -1.6129 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4139 -3.7471 -0.5267 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7699 -3.7819 -1.1958 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9803 2.8249 -3.8679 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0109 -2.0617 -2.7844 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0035 -1.9765 -1.1606 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6861 -0.4297 -4.5114 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6657 -0.3445 -2.8928 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0128 0.4299 -4.5723 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 15 1 0 0 0 0 2 11 1 0 0 0 0 2 16 1 0 0 0 0 3 14 1 0 0 0 0 3 19 1 0 0 0 0 4 17 2 0 0 0 0 5 25 2 0 0 0 0 6 28 1 0 0 0 0 6 38 1 0 0 0 0 7 28 2 0 0 0 0 8 13 1 0 0 0 0 8 17 1 0 0 0 0 8 54 1 0 0 0 0 9 20 1 0 0 0 0 9 23 1 0 0 0 0 9 28 1 0 0 0 0 10 18 1 0 0 0 0 10 25 1 0 0 0 0 10 65 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 46 1 0 0 0 0 12 14 1 0 0 0 0 12 47 1 0 0 0 0 13 15 1 0 0 0 0 13 48 1 0 0 0 0 14 16 1 0 0 0 0 14 49 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 17 18 1 0 0 0 0 18 24 1 0 0 0 0 18 55 1 0 0 0 0 19 26 1 0 0 0 0 19 56 1 0 0 0 0 19 57 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 20 58 1 0 0 0 0 21 22 1 0 0 0 0 21 59 1 0 0 0 0 21 60 1 0 0 0 0 22 23 1 0 0 0 0 22 61 1 0 0 0 0 22 62 1 0 0 0 0 23 63 1 0 0 0 0 23 64 1 0 0 0 0 24 27 1 0 0 0 0 24 66 1 0 0 0 0 24 67 1 0 0 0 0 26 29 2 0 0 0 0 26 30 1 0 0 0 0 27 31 2 0 0 0 0 27 32 1 0 0 0 0 29 33 1 0 0 0 0 29 68 1 0 0 0 0 30 34 2 0 0 0 0 30 69 1 0 0 0 0 31 36 1 0 0 0 0 31 70 1 0 0 0 0 32 37 2 0 0 0 0 32 71 1 0 0 0 0 33 35 2 0 0 0 0 33 72 1 0 0 0 0 34 35 1 0 0 0 0 34 73 1 0 0 0 0 35 74 1 0 0 0 0 36 39 2 0 0 0 0 36 75 1 0 0 0 0 37 39 1 0 0 0 0 37 76 1 0 0 0 0 38 40 1 0 0 0 0 38 77 1 0 0 0 0 38 78 1 0 0 0 0 39 79 1 0 0 0 0 40 41 2 0 0 0 0 40 42 1 0 0 0 0 41 43 1 0 0 0 0 41 80 1 0 0 0 0 42 44 2 0 0 0 0 42 81 1 0 0 0 0 43 45 2 0 0 0 0 43 82 1 0 0 0 0 44 45 1 0 0 0 0 44 83 1 0 0 0 0 45 84 1 0 0 0 0 M END $$$$