BJ90IG -OEChem-04022102242D 82 86 0 1 0 0 0 0 0999 V2000 7.9506 -4.5190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 -4.5399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1212 0.3864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7640 2.0812 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 -2.4876 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9288 -1.4876 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0628 -2.9876 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1968 -2.4876 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2868 -2.9944 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8750 -1.1828 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2787 -4.0360 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0628 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1968 -1.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0789 -4.0290 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8750 -2.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4586 -1.9876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -4.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3599 -2.4303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1857 -0.2323 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3433 -4.5857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2945 -1.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4120 -2.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -4.0432 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1642 -0.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5179 0.5120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4749 0.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4534 1.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7425 2.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0532 3.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0317 3.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3854 3.9822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3424 4.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6960 4.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6745 5.1390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0188 -3.3328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8022 -3.4069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9329 -2.0626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7148 -1.0509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2820 -4.8860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4613 -0.5126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6643 -0.5126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9847 -0.9049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5862 -1.5952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6116 -3.7118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6240 -3.3592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4124 -3.1015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -2.4023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -1.5728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7835 -5.0328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5818 -5.0297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7681 -1.9637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 -1.9483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5488 -0.4875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 0.1325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3088 -0.4875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3783 0.3570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9460 -5.0617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7443 -5.0586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9145 -1.9992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2993 -1.3744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6745 -1.9896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2075 -2.3730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8004 -3.0596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4025 -4.6632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1848 -0.6457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7780 -0.1134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9578 -5.1390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9793 0.9261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1038 0.9735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0564 0.0979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.2278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4543 1.5441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8611 1.0118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3500 2.5426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7631 1.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3564 2.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4458 2.9827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7787 3.8544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9490 4.5225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2820 5.3942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8671 5.7283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14 1 1 1 0 0 0 1 68 1 0 0 0 0 24 2 1 6 0 0 0 2 72 1 0 0 0 0 3 28 2 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 4 75 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 15 1 0 0 0 0 5 36 1 6 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 6 19 1 1 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 7 37 1 1 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 38 1 6 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 9 22 1 1 0 0 0 10 16 1 0 0 0 0 10 20 1 0 0 0 0 10 39 1 6 0 0 0 11 17 1 0 0 0 0 11 21 1 0 0 0 0 11 40 1 1 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 17 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 23 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 19 56 1 0 0 0 0 20 25 1 0 0 0 0 20 26 1 6 0 0 0 20 57 1 0 0 0 0 21 24 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 60 1 0 0 0 0 22 61 1 0 0 0 0 22 62 1 0 0 0 0 23 24 1 0 0 0 0 23 63 1 0 0 0 0 23 64 1 0 0 0 0 24 65 1 0 0 0 0 25 27 1 0 0 0 0 25 66 1 0 0 0 0 25 67 1 0 0 0 0 26 69 1 0 0 0 0 26 70 1 0 0 0 0 26 71 1 0 0 0 0 27 28 1 0 0 0 0 27 73 1 0 0 0 0 27 74 1 0 0 0 0 29 30 1 0 0 0 0 29 76 1 0 0 0 0 29 77 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 31 78 1 0 0 0 0 32 34 2 0 0 0 0 32 79 1 0 0 0 0 33 35 2 0 0 0 0 33 80 1 0 0 0 0 34 35 1 0 0 0 0 34 81 1 0 0 0 0 35 82 1 0 0 0 0 M END $$$$