B2I3CB -OEChem-04012120212D 84 87 0 1 0 0 0 0 0999 V2000 5.4478 -3.6598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7319 -1.5481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5806 -3.0580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8408 -0.6074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8408 -1.6074 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.9748 -2.1074 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.1088 -1.6074 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.7870 -0.3027 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.9748 -0.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1988 -2.1143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7870 -1.9122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1088 -0.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3707 -1.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9909 -3.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0977 0.6478 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.8408 0.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1908 -3.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0928 -3.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2719 -1.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2065 -1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3241 -2.0781 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0762 0.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2553 -3.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4299 1.3921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3157 -3.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3869 1.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4639 -1.5682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3654 2.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5921 -2.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6760 2.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6546 3.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0082 3.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8602 -2.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9064 -2.2240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5141 -2.4133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6457 -1.2974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3995 -0.2065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3733 0.3675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5763 0.3675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5360 -2.4791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3244 -2.2214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8967 -0.0248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4982 -0.7151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8315 -1.5222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8315 -0.6927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2089 -3.7293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6000 -3.0334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2903 1.2371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4608 0.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8408 1.0126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2208 0.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6955 -4.1527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4938 -4.1496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6802 -1.0835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8820 -1.0682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8265 -1.1191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2113 -0.4943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5865 -1.1095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7842 -2.3830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0968 0.2344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6900 0.7667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2577 -4.3256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8913 1.8062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0158 1.8536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9684 0.9781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3663 2.4242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7731 1.8919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8679 -1.0978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0709 -1.0886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3860 1.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9792 1.9234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8687 3.5506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7824 2.5608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2612 3.2954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5267 3.7742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4697 4.1197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5941 4.1671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5467 3.2915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4562 -2.5084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2532 -2.5176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3162 -0.9948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 -1.2119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6838 -2.0614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 2 0 0 0 0 2 29 1 0 0 0 0 2 33 1 0 0 0 0 3 29 2 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 16 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 6 36 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 7 37 1 0 0 0 0 8 13 1 0 0 0 0 8 15 1 0 0 0 0 8 38 1 0 0 0 0 9 12 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 17 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 1 0 0 0 11 13 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 18 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 22 1 0 0 0 0 15 24 1 0 0 0 0 15 49 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 18 1 0 0 0 0 17 23 2 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 21 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 20 59 1 0 0 0 0 21 25 1 0 0 0 0 21 27 1 6 0 0 0 21 60 1 0 0 0 0 22 26 1 0 0 0 0 22 61 1 0 0 0 0 22 62 1 0 0 0 0 23 25 1 0 0 0 0 23 63 1 0 0 0 0 24 64 1 0 0 0 0 24 65 1 0 0 0 0 24 66 1 0 0 0 0 26 28 1 0 0 0 0 26 67 1 0 0 0 0 26 68 1 0 0 0 0 27 29 1 0 0 0 0 27 69 1 0 0 0 0 27 70 1 0 0 0 0 28 30 1 0 0 0 0 28 71 1 0 0 0 0 28 72 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 73 1 0 0 0 0 31 74 1 0 0 0 0 31 75 1 0 0 0 0 31 76 1 0 0 0 0 32 77 1 0 0 0 0 32 78 1 0 0 0 0 32 79 1 0 0 0 0 33 34 1 0 0 0 0 33 80 1 0 0 0 0 33 81 1 0 0 0 0 34 82 1 0 0 0 0 34 83 1 0 0 0 0 34 84 1 0 0 0 0 M END $$$$