BD3EG1 -OEChem-04012116252D 77 79 0 1 0 0 0 0 0999 V2000 6.3246 -2.8034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 0.3800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9100 -4.9557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8529 4.3883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 -1.6467 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -0.1581 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.8748 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1992 -3.7990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.8670 -4.5433 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -1.1086 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9889 -1.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9280 -2.9290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2601 -2.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9065 -2.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2816 -2.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5743 -3.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -1.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -3.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5528 -3.2609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 0.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2207 -4.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 1.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 1.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2531 2.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8455 -4.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5134 -5.0814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2101 2.6935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5637 3.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 3.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4919 -4.8752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1851 5.1326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5534 -0.6471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 -0.6951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 -1.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4016 -3.2567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1592 -3.5043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7865 -1.8571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0289 -1.6095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4328 -2.3952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6752 -2.1476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7553 -2.7186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5129 -2.9662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0480 -3.7948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8056 -4.0424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8064 -1.0573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -3.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8848 -0.0302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0792 -2.9333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3216 -2.6857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -4.4641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.2600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3918 -3.2097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3135 1.2815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6464 2.1532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6744 -5.1326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3719 -4.0094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6143 -3.7618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9870 -5.4090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7446 -5.6566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8168 2.8213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1497 3.6930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6197 -5.4818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0986 -4.7473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3640 -4.2685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6465 5.5467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7710 5.5941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7236 4.7186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 2 0 0 0 0 2 25 2 0 0 0 0 3 27 2 0 0 0 0 4 36 1 0 0 0 0 4 38 1 0 0 0 0 5 16 1 0 0 0 0 5 19 1 0 0 0 0 5 52 1 0 0 0 0 10 6 1 6 0 0 0 6 25 1 0 0 0 0 6 54 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 7 57 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 8 62 1 0 0 0 0 9 32 1 0 0 0 0 9 65 1 0 0 0 0 10 11 1 0 0 0 0 10 19 1 0 0 0 0 10 39 1 0 0 0 0 11 15 1 0 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 14 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 16 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 17 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 18 1 0 0 0 0 15 21 2 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 22 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 20 1 0 0 0 0 18 23 2 0 0 0 0 20 24 2 0 0 0 0 21 53 1 0 0 0 0 22 27 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 26 1 0 0 0 0 23 58 1 0 0 0 0 24 28 1 0 0 0 0 24 59 1 0 0 0 0 25 29 1 0 0 0 0 26 28 2 0 0 0 0 26 60 1 0 0 0 0 28 61 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 30 34 1 0 0 0 0 30 63 1 0 0 0 0 31 35 2 0 0 0 0 31 64 1 0 0 0 0 32 33 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 33 37 1 0 0 0 0 33 68 1 0 0 0 0 33 69 1 0 0 0 0 34 36 2 0 0 0 0 34 70 1 0 0 0 0 35 36 1 0 0 0 0 35 71 1 0 0 0 0 37 72 1 0 0 0 0 37 73 1 0 0 0 0 37 74 1 0 0 0 0 38 75 1 0 0 0 0 38 76 1 0 0 0 0 38 77 1 0 0 0 0 M END $$$$