B5DCY2 -OEChem-04012112423D 81 84 0 1 0 0 0 0 0999 V2000 -0.0704 0.5084 -0.2453 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6069 -2.4739 -1.3184 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7814 -1.6880 -0.4096 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3884 0.6259 -2.7834 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5507 -2.1901 0.7927 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8738 2.7059 0.1632 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9356 1.1005 -0.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 2.1702 -0.1428 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9649 0.4682 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9996 0.0875 -1.5757 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1742 2.8899 -1.0904 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0897 3.1708 0.5343 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8442 -0.5339 -0.7172 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2722 -0.2068 1.2345 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4080 4.0009 -0.3758 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3203 4.2815 1.2459 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8471 -1.2192 0.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2776 -0.8929 2.1565 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3518 4.9886 0.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1556 -1.8815 1.3957 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8611 -0.3307 -0.6798 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1545 -2.2390 0.5617 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6951 -2.7155 -0.9025 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3911 -3.6258 0.8817 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1121 -4.0286 -0.4025 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4607 -0.8558 0.0709 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4947 -2.3088 -0.1064 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9144 -0.9352 -0.4138 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3379 0.0805 1.2806 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9285 -2.2471 0.4097 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3638 1.3778 0.5021 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4868 0.4505 -0.7113 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9111 1.4657 0.9831 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5150 1.6003 -1.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5644 1.7596 0.6878 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6677 1.2197 0.4172 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5749 -0.7538 -1.9416 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3976 2.2790 -1.5427 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7406 3.3404 -1.9169 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7672 3.6146 -0.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7063 2.7044 1.3073 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3931 -0.0134 -1.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2783 -1.3266 -1.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7249 0.5128 1.8494 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5740 -0.9764 0.9468 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2231 4.5360 -1.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2628 3.5613 0.3728 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7631 3.8583 2.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0253 5.0101 1.6622 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4159 -1.9692 -0.3533 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5707 -0.4799 0.5733 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9109 -0.1347 2.6337 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7467 -1.4154 2.9607 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7700 5.7312 0.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9194 5.5348 -0.4603 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9093 -2.2993 2.0728 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5450 -2.7217 1.0448 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1971 -1.5918 1.4445 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8695 -0.1068 -3.2666 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1126 0.9350 -3.4306 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6855 -2.5652 -0.4759 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7548 -2.6957 -1.9944 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1203 -3.5574 1.6984 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3787 -4.3486 1.1682 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8774 -4.7924 -0.2383 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3911 -4.4235 -1.1281 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8524 -0.4370 -0.7432 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5356 -1.4270 0.3457 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9730 -1.5510 -1.3192 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2887 0.1993 1.5747 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8639 -0.3497 2.1426 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0304 -2.9139 -0.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4842 -2.6896 1.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9795 0.9753 1.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9569 0.8802 -1.5717 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5388 0.3484 -1.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8496 2.0830 1.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2897 1.9555 0.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -2.0697 1.7799 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8367 3.3074 0.9852 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8558 2.6395 -0.1014 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 2 0 0 0 0 2 27 2 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 10 1 0 0 0 0 4 59 1 0 0 0 0 4 60 1 0 0 0 0 5 27 1 0 0 0 0 5 30 1 0 0 0 0 5 79 1 0 0 0 0 6 31 1 0 0 0 0 6 80 1 0 0 0 0 6 81 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 34 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 35 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 9 36 1 0 0 0 0 10 21 1 0 0 0 0 10 37 1 0 0 0 0 11 15 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 16 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 17 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 18 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 19 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 19 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 20 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 20 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 22 24 1 0 0 0 0 22 27 1 0 0 0 0 22 58 1 0 0 0 0 23 25 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 24 25 1 0 0 0 0 24 63 1 0 0 0 0 24 64 1 0 0 0 0 25 65 1 0 0 0 0 25 66 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 26 30 1 0 0 0 0 26 67 1 0 0 0 0 28 32 1 0 0 0 0 28 68 1 0 0 0 0 28 69 1 0 0 0 0 29 33 1 0 0 0 0 29 70 1 0 0 0 0 29 71 1 0 0 0 0 30 72 1 0 0 0 0 30 73 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 74 1 0 0 0 0 32 75 1 0 0 0 0 32 76 1 0 0 0 0 33 77 1 0 0 0 0 33 78 1 0 0 0 0 M END $$$$