B7JK1E -OEChem-04012115032D 76 80 0 1 0 0 0 0 0999 V2000 5.3183 0.6544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6526 1.5544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7478 1.5891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1862 2.4879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8686 -0.1387 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7429 1.7286 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8208 2.4749 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4219 2.4837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5620 3.4408 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0418 1.6092 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2986 4.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5952 3.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8709 2.1684 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5559 2.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 1.6177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2128 1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8710 -0.2085 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4327 -1.1073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9919 -1.9363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3070 0.7601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3045 0.8298 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9894 -1.8666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5535 -2.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8637 0.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5486 -2.6956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1127 -3.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1102 -3.5944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8613 0.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1837 2.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6694 -4.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2997 0.9693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4205 -0.7585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6221 3.4564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2972 1.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4180 -0.6887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8564 0.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3118 0.6205 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 4.0408 1.6539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3420 4.2619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9808 4.9558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9118 4.5154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6003 3.7497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2096 3.2135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3853 2.5145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2459 2.4468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0189 3.2937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8659 3.5206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4588 1.3077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6119 1.0808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3849 1.9277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5595 0.5360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6988 0.7033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8661 1.5640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1428 0.3488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9867 -1.5380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9311 -0.7429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2153 -0.6527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9578 1.3438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2612 -1.3093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9350 -2.8784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0137 -0.6008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2973 -0.2514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1671 -2.6524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8409 -4.2214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3614 1.7719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1834 -4.0767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0161 -4.9374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1554 -4.7701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9530 1.4833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1487 -1.3158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0648 3.7282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8939 4.0137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1793 3.1846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5690 1.5963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7647 -1.2028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4749 0.2533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 37 1 0 0 0 0 2 13 1 0 0 0 0 2 37 1 0 0 0 0 3 20 2 0 0 0 0 4 29 2 0 0 0 0 17 5 1 1 0 0 0 5 20 1 0 0 0 0 5 57 1 0 0 0 0 21 6 1 1 0 0 0 6 29 1 0 0 0 0 6 65 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 38 1 1 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 39 1 6 0 0 0 10 13 1 0 0 0 0 10 16 1 6 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 54 1 0 0 0 0 18 19 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 21 24 1 0 0 0 0 21 58 1 0 0 0 0 22 25 1 0 0 0 0 22 59 1 0 0 0 0 23 26 2 0 0 0 0 23 60 1 0 0 0 0 24 28 1 0 0 0 0 24 61 1 0 0 0 0 24 62 1 0 0 0 0 25 27 2 0 0 0 0 25 63 1 0 0 0 0 26 27 1 0 0 0 0 26 64 1 0 0 0 0 27 30 1 0 0 0 0 28 31 2 0 0 0 0 28 32 1 0 0 0 0 29 33 1 0 0 0 0 30 66 1 0 0 0 0 30 67 1 0 0 0 0 30 68 1 0 0 0 0 31 34 1 0 0 0 0 31 69 1 0 0 0 0 32 35 2 0 0 0 0 32 70 1 0 0 0 0 33 71 1 0 0 0 0 33 72 1 0 0 0 0 33 73 1 0 0 0 0 34 36 2 0 0 0 0 34 74 1 0 0 0 0 35 36 1 0 0 0 0 35 75 1 0 0 0 0 36 76 1 0 0 0 0 M END $$$$