B2MN3J -OEChem-04022108302D 89 96 0 1 0 0 0 0 0999 V2000 3.5277 -3.9635 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2257 -0.7381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0631 -0.7358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5841 -2.2653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4948 -4.9630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5606 -2.9641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2257 0.9939 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3247 -1.6289 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6376 4.4070 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5271 -3.9964 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5282 -3.9306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7257 0.1279 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7257 0.1279 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2257 0.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1022 -0.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7257 0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8721 2.3475 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0061 1.8475 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.3492 -0.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8663 2.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3923 3.7509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7804 3.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1266 -1.6289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2257 -2.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6396 -2.3492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0897 -3.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3397 -0.3316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1114 -3.2241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8113 -3.7398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8792 -2.3490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7247 5.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1087 -1.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6052 -2.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8769 -2.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5725 -4.7109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7716 -3.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5815 -4.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2941 -5.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4932 -4.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2545 -5.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0548 -3.1802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5463 -4.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0554 -3.1473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7988 -1.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.7797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 -3.0486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4280 0.6066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7007 1.3929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7507 1.3929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7156 -0.1692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5436 -0.9230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4984 1.8528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7110 1.3022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6188 2.8731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4344 1.8599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9436 3.4673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7400 4.2643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5405 4.4636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1802 3.7364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4706 0.2744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2159 -3.9126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7343 -2.9519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3424 5.3492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7788 6.0208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1071 5.4572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3172 -1.7540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0053 -4.4605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2275 -5.2260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2720 -3.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4980 -2.9047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3298 -2.4732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8821 -4.6560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7937 -5.7693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5677 -5.9596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0605 -4.4037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8383 -3.6382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3213 -5.7408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8731 -5.1657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2229 -4.6206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3788 -1.8692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2549 -1.8330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2187 -0.9570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8193 -4.5433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4736 -4.4522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6725 -5.3062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5264 -5.1072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6038 -2.7565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7648 -2.5018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5102 -3.3408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 16 2 0 0 0 0 3 32 1 0 0 0 0 3 44 1 0 0 0 0 4 43 2 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 15 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 9 31 1 0 0 0 0 10 43 1 0 0 0 0 10 83 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 6 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 13 47 1 6 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 17 20 1 0 0 0 0 17 21 1 0 0 0 0 17 52 1 0 0 0 0 18 20 1 0 0 0 0 18 22 1 0 0 0 0 18 53 1 0 0 0 0 19 23 2 0 0 0 0 19 27 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 23 24 1 0 0 0 0 23 30 1 0 0 0 0 24 26 2 0 0 0 0 25 28 2 0 0 0 0 25 33 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 27 32 2 0 0 0 0 27 60 1 0 0 0 0 28 37 1 0 0 0 0 29 35 1 0 0 0 0 29 36 1 0 0 0 0 29 61 1 0 0 0 0 30 34 2 0 0 0 0 30 62 1 0 0 0 0 31 63 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 32 34 1 0 0 0 0 33 41 2 0 0 0 0 33 66 1 0 0 0 0 34 71 1 0 0 0 0 35 38 1 0 0 0 0 35 67 1 0 0 0 0 35 68 1 0 0 0 0 36 39 1 0 0 0 0 36 69 1 0 0 0 0 36 70 1 0 0 0 0 37 42 2 0 0 0 0 37 72 1 0 0 0 0 38 40 1 0 0 0 0 38 73 1 0 0 0 0 38 74 1 0 0 0 0 39 40 1 0 0 0 0 39 75 1 0 0 0 0 39 76 1 0 0 0 0 40 77 1 0 0 0 0 40 78 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 42 79 1 0 0 0 0 44 80 1 0 0 0 0 44 81 1 0 0 0 0 44 82 1 0 0 0 0 45 84 1 0 0 0 0 45 85 1 0 0 0 0 45 86 1 0 0 0 0 46 87 1 0 0 0 0 46 88 1 0 0 0 0 46 89 1 0 0 0 0 M END $$$$