BU6A2Q -OEChem-04012116382D 82 85 0 1 0 0 0 0 0999 V2000 7.9506 -2.9829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1847 -4.0206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3472 -4.0496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1857 -2.2066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 -3.0037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8070 3.2049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1968 -0.9514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0628 -1.4514 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2868 -1.4582 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9288 0.0486 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9288 -0.9514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2787 -2.4998 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1968 0.0486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8750 0.3533 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0628 0.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0789 -2.4929 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1808 -3.0207 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3599 -0.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8750 -1.2561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4586 -0.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3433 -3.0496 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2945 -0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 1.0486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1857 1.3038 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4120 -1.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -2.5071 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1642 1.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5179 2.0482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4749 2.4606 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4534 2.6668 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7640 3.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1212 1.9225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7425 3.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0962 4.3616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9329 -0.5264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8022 -1.8707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0188 -1.7966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2820 -3.3498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9847 0.6312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5862 -0.0591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7148 0.4852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4613 1.0236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6643 1.0236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6116 -2.1757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7195 -3.3276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7681 -0.4275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 -0.4121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -0.8661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -0.0367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8070 -3.3606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9145 -0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2993 0.1617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6745 -0.4535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5488 1.0486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 1.6686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3088 1.0486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3783 1.8932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2075 -0.8368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8004 -1.5235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4025 -3.1271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9578 -3.6028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1848 0.8904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7780 1.4227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7228 -4.3286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9793 2.4622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1038 2.5096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0564 1.6341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8114 -4.3616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6675 3.0499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0601 2.7947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9567 4.2066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9996 3.7942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6598 1.5084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5353 1.4610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5827 2.3366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8704 3.2169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3492 3.9514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6147 4.4302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5577 4.7757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6821 4.8231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6347 3.9476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16 1 1 1 0 0 0 1 61 1 0 0 0 0 17 2 1 6 0 0 0 2 64 1 0 0 0 0 21 3 1 6 0 0 0 3 68 1 0 0 0 0 4 19 2 0 0 0 0 26 5 1 1 0 0 0 5 70 1 0 0 0 0 29 6 1 6 0 0 0 6 73 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 7 35 1 6 0 0 0 8 11 1 0 0 0 0 8 16 1 0 0 0 0 8 36 1 1 0 0 0 9 12 1 0 0 0 0 9 18 1 0 0 0 0 9 22 1 1 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 10 23 1 1 0 0 0 11 19 1 0 0 0 0 11 37 1 6 0 0 0 12 17 1 0 0 0 0 12 21 1 0 0 0 0 12 38 1 6 0 0 0 13 15 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 20 1 0 0 0 0 14 24 1 0 0 0 0 14 41 1 6 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 17 45 1 0 0 0 0 18 25 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 26 1 0 0 0 0 21 50 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 27 1 0 0 0 0 24 28 1 6 0 0 0 24 57 1 0 0 0 0 25 26 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 60 1 0 0 0 0 27 29 1 0 0 0 0 27 62 1 0 0 0 0 27 63 1 0 0 0 0 28 65 1 0 0 0 0 28 66 1 0 0 0 0 28 67 1 0 0 0 0 29 30 1 0 0 0 0 29 69 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 6 0 0 0 30 71 1 0 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 31 72 1 0 0 0 0 32 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 33 79 1 0 0 0 0 34 80 1 0 0 0 0 34 81 1 0 0 0 0 34 82 1 0 0 0 0 M END $$$$