BBO6T5 -OEChem-04022101012D 99105 0 0 0 0 0 0 0999 V2000 18.5922 -1.2323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7884 -1.2323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1845 0.2777 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 0.2777 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.7204 0.2644 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6602 0.2644 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1903 0.2402 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.9127 1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4679 1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9166 0.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0448 1.7811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3359 1.7811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0525 -0.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1807 1.2777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2000 1.2777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3282 -0.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7768 1.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6038 1.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3204 -0.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0602 -0.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6447 1.2911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7359 1.2911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4525 0.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6486 0.2911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5088 1.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 1.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5884 -0.2323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7922 -0.2323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5165 -0.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3768 1.2978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0038 1.2978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -0.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3806 0.2978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8563 -0.2389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5243 -0.2389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9503 0.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4303 0.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8563 -1.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5243 -1.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0563 -0.2598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3243 -0.2598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0563 -1.2598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3243 -1.2598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9503 -1.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4303 -1.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1903 -1.7598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9103 1.9044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9298 0.9765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1309 -0.2974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.5267 0.3944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4414 2.2576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6444 2.2545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7362 2.2545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9392 2.2576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8539 0.3944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2498 -0.2974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6558 -0.6954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4528 -0.6923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9664 1.8595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5705 1.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8101 1.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4143 1.8595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9278 -0.6923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7249 -0.6954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1735 2.2642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.3764 2.2612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 2.2612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2071 2.2642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9237 -0.7021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7208 -0.6990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6598 -0.6990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4569 -0.7021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8492 0.7475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0521 0.7445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3285 0.7445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5315 0.7475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1129 -0.0210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.5064 2.4144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8742 2.4144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 -0.0210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.5189 -0.8256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.9125 1.6098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4681 1.6098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8617 -0.8256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.9188 -0.0102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 -0.0102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7181 0.8844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6626 0.8844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9431 0.8949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4375 0.8949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3921 -1.5926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9885 -1.5926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9431 -2.4144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4375 -2.4144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1903 -2.3798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 2 0 0 0 0 2 31 2 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 3 20 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 4 21 1 0 0 0 0 5 30 1 0 0 0 0 5 38 1 0 0 0 0 5 91 1 0 0 0 0 6 31 1 0 0 0 0 6 39 1 0 0 0 0 6 92 1 0 0 0 0 7 44 2 0 0 0 0 7 45 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 18 1 0 0 0 0 8 51 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 19 1 0 0 0 0 9 52 1 0 0 0 0 10 14 1 0 0 0 0 10 53 1 0 0 0 0 10 54 1 0 0 0 0 11 15 1 0 0 0 0 11 55 1 0 0 0 0 11 56 1 0 0 0 0 12 16 1 0 0 0 0 12 57 1 0 0 0 0 12 58 1 0 0 0 0 13 17 1 0 0 0 0 13 59 1 0 0 0 0 13 60 1 0 0 0 0 14 61 1 0 0 0 0 14 62 1 0 0 0 0 15 63 1 0 0 0 0 15 64 1 0 0 0 0 16 65 1 0 0 0 0 16 66 1 0 0 0 0 17 67 1 0 0 0 0 17 68 1 0 0 0 0 18 22 1 0 0 0 0 18 69 1 0 0 0 0 18 70 1 0 0 0 0 19 23 1 0 0 0 0 19 71 1 0 0 0 0 19 72 1 0 0 0 0 20 24 1 0 0 0 0 20 73 1 0 0 0 0 20 74 1 0 0 0 0 21 25 1 0 0 0 0 21 75 1 0 0 0 0 21 76 1 0 0 0 0 22 26 2 0 0 0 0 22 27 1 0 0 0 0 23 28 2 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 24 77 1 0 0 0 0 24 78 1 0 0 0 0 25 31 1 0 0 0 0 25 79 1 0 0 0 0 25 80 1 0 0 0 0 26 32 1 0 0 0 0 26 81 1 0 0 0 0 27 33 2 0 0 0 0 27 82 1 0 0 0 0 28 34 1 0 0 0 0 28 83 1 0 0 0 0 29 35 2 0 0 0 0 29 84 1 0 0 0 0 32 36 2 0 0 0 0 32 85 1 0 0 0 0 33 36 1 0 0 0 0 33 86 1 0 0 0 0 34 37 2 0 0 0 0 34 87 1 0 0 0 0 35 37 1 0 0 0 0 35 88 1 0 0 0 0 36 89 1 0 0 0 0 37 90 1 0 0 0 0 38 40 2 0 0 0 0 38 42 1 0 0 0 0 39 41 2 0 0 0 0 39 43 1 0 0 0 0 40 44 1 0 0 0 0 40 93 1 0 0 0 0 41 45 1 0 0 0 0 41 94 1 0 0 0 0 42 48 2 0 0 0 0 42 95 1 0 0 0 0 43 49 2 0 0 0 0 43 96 1 0 0 0 0 44 46 1 0 0 0 0 45 47 2 0 0 0 0 46 48 1 0 0 0 0 46 50 2 0 0 0 0 47 49 1 0 0 0 0 47 50 1 0 0 0 0 48 97 1 0 0 0 0 49 98 1 0 0 0 0 50 99 1 0 0 0 0 M END $$$$