BV85PQ -OEChem-04012116382D 114116 0 1 0 0 0 0 0999 V2000 8.7887 -3.5077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2749 -2.1694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 3.1312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0134 5.7730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1090 -1.3688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1724 4.4858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 2.6312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 -0.3688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 0.1312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4339 -3.4566 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 3.1312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 1.1312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3769 -1.3688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 1.1312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 1.6312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2429 -2.8688 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0519 -3.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7429 -4.4076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 4.1257 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7429 -4.4076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 4.3336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 2.7245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4829 -3.1476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 1.6312 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4487 2.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7397 -3.8167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2429 -1.8688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9476 -4.7948 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2213 4.7948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 1.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2045 -5.4640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 1.6312 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8987 -5.1039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3769 -0.3688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 1.1312 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6448 2.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 0.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 3.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 0.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 1.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4124 -6.4421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 0.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3769 1.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -0.3688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7166 -0.3688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 4.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3769 2.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7565 6.4421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -1.3688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7166 -1.3688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -1.8688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6905 -2.5873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6183 -3.7088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3619 -2.9196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0570 3.9035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6781 -5.0242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3494 -4.5366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1365 -4.5366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8077 -5.0242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6916 4.9233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 4.5858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 3.8320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 3.0069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1675 2.3600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9791 2.1875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9856 1.9412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6108 -3.2102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4084 -4.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3706 1.7138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9721 1.0235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8759 -4.9382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6296 -5.6962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8400 -1.6788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 1.0112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7071 -5.6935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4883 -5.2955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0903 -4.5142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9875 -0.4765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5890 0.2138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 1.7512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4328 3.2138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0343 2.5235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6947 0.1312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.4888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9347 0.1312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0478 3.4412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3279 -3.9226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 2.2512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8059 -6.5710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5413 -7.0486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0188 -6.3132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4268 0.1312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -0.4888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6668 0.1312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6869 1.0943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9138 1.9412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0669 2.1681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1309 4.1312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 4.7512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8909 4.1312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0669 2.0943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9138 2.3212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6869 3.1681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9856 -0.0588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1797 -0.0588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1714 5.9814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2173 6.8570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 6.9029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9856 -1.6788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1797 -1.6788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -2.4888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27 1 1 1 0 0 0 1 90 1 0 0 0 0 2 24 2 0 0 0 0 3 26 2 0 0 0 0 4 30 1 0 0 0 0 4 51 1 0 0 0 0 5 28 2 0 0 0 0 6 30 2 0 0 0 0 7 35 2 0 0 0 0 8 42 2 0 0 0 0 9 43 2 0 0 0 0 10 16 1 0 0 0 0 10 20 1 0 0 0 0 10 24 1 0 0 0 0 11 19 1 0 0 0 0 11 23 1 0 0 0 0 11 26 1 0 0 0 0 25 12 1 6 0 0 0 12 35 1 0 0 0 0 12 40 1 0 0 0 0 13 28 1 0 0 0 0 13 36 1 0 0 0 0 13 76 1 0 0 0 0 33 14 1 6 0 0 0 14 42 1 0 0 0 0 14 46 1 0 0 0 0 37 15 1 1 0 0 0 15 43 1 0 0 0 0 15 91 1 0 0 0 0 16 17 1 0 0 0 0 16 28 1 6 0 0 0 16 55 1 0 0 0 0 17 18 1 0 0 0 0 17 56 1 0 0 0 0 17 57 1 0 0 0 0 18 20 1 0 0 0 0 18 59 1 0 0 0 0 18 60 1 0 0 0 0 19 21 1 0 0 0 0 19 30 1 1 0 0 0 19 58 1 0 0 0 0 20 61 1 0 0 0 0 20 62 1 0 0 0 0 21 22 1 0 0 0 0 21 63 1 0 0 0 0 21 64 1 0 0 0 0 22 23 1 0 0 0 0 22 65 1 0 0 0 0 22 66 1 0 0 0 0 23 67 1 0 0 0 0 23 68 1 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 31 1 0 0 0 0 25 69 1 0 0 0 0 27 29 1 0 0 0 0 27 70 1 0 0 0 0 29 32 1 0 0 0 0 29 34 1 1 0 0 0 29 71 1 0 0 0 0 31 39 1 0 0 0 0 31 72 1 0 0 0 0 31 73 1 0 0 0 0 32 44 1 0 0 0 0 32 74 1 0 0 0 0 32 75 1 0 0 0 0 33 38 1 0 0 0 0 33 43 1 0 0 0 0 33 77 1 0 0 0 0 34 78 1 0 0 0 0 34 79 1 0 0 0 0 34 80 1 0 0 0 0 35 37 1 0 0 0 0 36 42 1 0 0 0 0 36 81 1 0 0 0 0 36 82 1 0 0 0 0 37 45 1 0 0 0 0 37 83 1 0 0 0 0 38 41 1 0 0 0 0 38 84 1 0 0 0 0 38 85 1 0 0 0 0 39 47 2 0 0 0 0 39 48 1 0 0 0 0 40 86 1 0 0 0 0 40 87 1 0 0 0 0 40 88 1 0 0 0 0 41 49 1 0 0 0 0 41 50 1 0 0 0 0 41 89 1 0 0 0 0 44 92 1 0 0 0 0 44 93 1 0 0 0 0 44 94 1 0 0 0 0 45 95 1 0 0 0 0 45 96 1 0 0 0 0 45 97 1 0 0 0 0 46 98 1 0 0 0 0 46 99 1 0 0 0 0 46100 1 0 0 0 0 47 52 1 0 0 0 0 47107 1 0 0 0 0 48 53 2 0 0 0 0 48108 1 0 0 0 0 49101 1 0 0 0 0 49102 1 0 0 0 0 49103 1 0 0 0 0 50104 1 0 0 0 0 50105 1 0 0 0 0 50106 1 0 0 0 0 51109 1 0 0 0 0 51110 1 0 0 0 0 51111 1 0 0 0 0 52 54 2 0 0 0 0 52112 1 0 0 0 0 53 54 1 0 0 0 0 53113 1 0 0 0 0 54114 1 0 0 0 0 M END $$$$