BU5CN7 -OEChem-04012115092D 81 83 0 1 0 0 0 0 0999 V2000 4.7215 6.4228 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2147 7.7430 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8944 7.2362 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8511 -4.8770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8511 -6.8770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7688 2.3663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0421 0.7108 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 3.3844 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8511 -0.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8511 0.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8511 -0.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8511 -0.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8511 -1.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6602 0.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3511 -0.0110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3511 -1.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3511 1.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9851 -2.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7172 -2.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0911 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3511 1.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5832 -6.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9851 -3.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7172 -6.3770 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8511 -3.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7172 -3.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7172 -5.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3479 1.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7634 2.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4492 -7.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0832 -7.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0832 -6.0110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1191 -3.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 4.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 5.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 4.0889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 5.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 5.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8080 6.8295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7435 -1.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4338 -1.0891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9588 -0.2664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2685 -0.6650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2498 0.5192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8881 -0.3210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6611 0.5259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8142 0.2990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8142 -1.4330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0411 -2.2800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8881 -2.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4482 -2.0670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2541 -2.0670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6025 0.0200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3821 -0.1457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7156 2.1634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7172 -6.9970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2541 -3.6870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3278 -5.4847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9292 -4.7944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7628 1.5316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8872 1.4857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9331 0.6101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1392 -7.9140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9862 -7.6870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7592 -6.8401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5463 -7.4330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7732 -8.2800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6201 -8.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6201 -6.3210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3932 -5.4741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5463 -5.7010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8091 -3.3401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5822 -4.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4291 -4.4140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8511 -7.4970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7867 3.4492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6056 5.1718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3356 3.5225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 4.8331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0423 6.3130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 40 1 0 0 0 0 2 40 1 0 0 0 0 3 40 1 0 0 0 0 4 25 1 0 0 0 0 4 27 1 0 0 0 0 5 24 1 0 0 0 0 5 76 1 0 0 0 0 6 29 2 0 0 0 0 7 10 1 0 0 0 0 7 17 1 0 0 0 0 7 20 1 0 0 0 0 8 29 1 0 0 0 0 8 34 1 0 0 0 0 8 77 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 10 14 2 0 0 0 0 11 15 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 16 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 14 21 1 0 0 0 0 14 45 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 21 2 0 0 0 0 17 29 1 0 0 0 0 18 23 1 0 0 0 0 18 52 1 0 0 0 0 19 26 2 0 0 0 0 19 53 1 0 0 0 0 20 28 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 22 24 1 0 0 0 0 22 30 1 0 0 0 0 22 31 1 0 0 0 0 22 32 1 0 0 0 0 23 25 2 0 0 0 0 23 33 1 0 0 0 0 24 27 1 0 0 0 0 24 57 1 0 0 0 0 25 26 1 0 0 0 0 26 58 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 30 64 1 0 0 0 0 30 65 1 0 0 0 0 30 66 1 0 0 0 0 31 67 1 0 0 0 0 31 68 1 0 0 0 0 31 69 1 0 0 0 0 32 70 1 0 0 0 0 32 71 1 0 0 0 0 32 72 1 0 0 0 0 33 73 1 0 0 0 0 33 74 1 0 0 0 0 33 75 1 0 0 0 0 34 35 1 0 0 0 0 34 36 2 0 0 0 0 35 37 2 0 0 0 0 35 78 1 0 0 0 0 36 38 1 0 0 0 0 36 79 1 0 0 0 0 37 39 1 0 0 0 0 37 40 1 0 0 0 0 38 39 2 0 0 0 0 38 80 1 0 0 0 0 39 81 1 0 0 0 0 M END $$$$