-OEChem-11021115562D 127130 0 1 0 0 0 0 0999 V2000 17.5883 -3.6598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7281 -2.1564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9814 -0.6074 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 22.9814 -1.6074 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 22.1154 -2.1074 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 21.2494 -1.6074 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 23.9276 -0.3027 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 22.1154 -0.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3394 -2.1143 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 23.9276 -1.9122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2494 -0.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5113 -1.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1315 -3.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2383 0.6478 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 22.9814 0.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3313 -3.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4125 -1.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2334 -3.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3471 -1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3959 -3.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4647 -2.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2168 0.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4563 -3.1631 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 23.5705 1.3921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5275 1.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5060 2.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8166 2.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7242 -3.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8563 -3.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1488 3.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7952 3.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9922 -3.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1243 -3.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2602 -3.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3922 -3.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5281 -3.1364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6602 -3.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7961 -3.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0641 -3.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 -3.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3320 -3.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.6130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -3.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8679 -3.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0661 -2.4029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8113 -2.5021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9422 -1.2074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.7180 -0.1786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.5139 0.3675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7169 0.3675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.4650 -2.2214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.6766 -2.4791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6388 -0.7151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0373 -0.0248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9721 -0.6927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9721 -1.5222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7406 -3.0334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3495 -3.7293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.6316 0.5200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3614 0.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9814 1.0126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.6014 0.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8207 -1.0835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0226 -1.0682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2358 -4.2967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7271 -1.1095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3519 -0.4943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9671 -1.1191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9986 -4.1816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7969 -4.1785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2601 -1.4929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8530 -2.1795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.8306 0.7667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.2374 0.2344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4551 -3.7831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0319 1.8062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1090 0.9781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1564 1.8536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9137 1.8919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.5069 2.4242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.1198 1.9234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.5265 1.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.0093 3.5506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4559 -4.1265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2530 -4.1296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.6103 4.1197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.7347 4.1671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.6873 3.2915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.9230 2.5608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.4018 3.2954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.6673 3.7742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5955 -2.6733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3926 -2.6763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7239 -4.1198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5210 -4.1229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8635 -2.6666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6605 -2.6697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7889 -4.1162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9919 -4.1131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1314 -2.6599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9285 -2.6630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0569 -4.1095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2598 -4.1065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3994 -2.6532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1965 -2.6563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5278 -4.0998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3248 -4.1029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6674 -2.6466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4644 -2.6496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5928 -4.0962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7958 -4.0931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7324 -2.6430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9353 -2.6399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0637 -4.0864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8608 -4.0895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0003 -2.6363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2033 -2.6332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3317 -4.0798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1287 -4.0828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4713 -2.6265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2683 -2.6296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 -4.1378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 -3.9076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6921 -3.0615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23 1 1 1 0 0 0 1 28 1 0 0 0 0 2 28 2 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 15 1 1 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 4 48 1 6 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 5 49 1 1 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 6 50 1 6 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 7 51 1 6 0 0 0 8 11 1 0 0 0 0 8 52 1 0 0 0 0 8 53 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 9 19 1 1 0 0 0 10 12 1 0 0 0 0 10 54 1 0 0 0 0 10 55 1 0 0 0 0 11 56 1 0 0 0 0 11 57 1 0 0 0 0 12 58 1 0 0 0 0 12 59 1 0 0 0 0 13 18 1 0 0 0 0 13 60 1 0 0 0 0 13 61 1 0 0 0 0 14 22 1 0 0 0 0 14 24 1 6 0 0 0 14 62 1 0 0 0 0 15 63 1 0 0 0 0 15 64 1 0 0 0 0 15 65 1 0 0 0 0 16 18 2 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 17 66 1 0 0 0 0 17 67 1 0 0 0 0 18 68 1 0 0 0 0 19 69 1 0 0 0 0 19 70 1 0 0 0 0 19 71 1 0 0 0 0 20 23 1 0 0 0 0 20 72 1 0 0 0 0 20 73 1 0 0 0 0 21 23 1 0 0 0 0 21 74 1 0 0 0 0 21 75 1 0 0 0 0 22 25 1 0 0 0 0 22 76 1 0 0 0 0 22 77 1 0 0 0 0 23 78 1 0 0 0 0 24 79 1 0 0 0 0 24 80 1 0 0 0 0 24 81 1 0 0 0 0 25 26 1 0 0 0 0 25 82 1 0 0 0 0 25 83 1 0 0 0 0 26 27 1 0 0 0 0 26 84 1 0 0 0 0 26 85 1 0 0 0 0 27 30 1 0 0 0 0 27 31 1 0 0 0 0 27 86 1 0 0 0 0 28 29 1 0 0 0 0 29 32 1 0 0 0 0 29 87 1 0 0 0 0 29 88 1 0 0 0 0 30 89 1 0 0 0 0 30 90 1 0 0 0 0 30 91 1 0 0 0 0 31 92 1 0 0 0 0 31 93 1 0 0 0 0 31 94 1 0 0 0 0 32 33 1 0 0 0 0 32 95 1 0 0 0 0 32 96 1 0 0 0 0 33 34 1 0 0 0 0 33 97 1 0 0 0 0 33 98 1 0 0 0 0 34 35 1 0 0 0 0 34 99 1 0 0 0 0 34100 1 0 0 0 0 35 36 1 0 0 0 0 35101 1 0 0 0 0 35102 1 0 0 0 0 36 37 1 0 0 0 0 36103 1 0 0 0 0 36104 1 0 0 0 0 37 38 1 0 0 0 0 37105 1 0 0 0 0 37106 1 0 0 0 0 38 39 1 0 0 0 0 38107 1 0 0 0 0 38108 1 0 0 0 0 39 40 1 0 0 0 0 39109 1 0 0 0 0 39110 1 0 0 0 0 40 41 1 0 0 0 0 40111 1 0 0 0 0 40112 1 0 0 0 0 41 42 1 0 0 0 0 41113 1 0 0 0 0 41114 1 0 0 0 0 42 43 1 0 0 0 0 42115 1 0 0 0 0 42116 1 0 0 0 0 43 44 1 0 0 0 0 43117 1 0 0 0 0 43118 1 0 0 0 0 44 45 1 0 0 0 0 44119 1 0 0 0 0 44120 1 0 0 0 0 45 46 1 0 0 0 0 45121 1 0 0 0 0 45122 1 0 0 0 0 46 47 1 0 0 0 0 46123 1 0 0 0 0 46124 1 0 0 0 0 47125 1 0 0 0 0 47126 1 0 0 0 0 47127 1 0 0 0 0 M END > 0 > 0 > 29299326 > 1 > ChemSpider > 105677 > 105677 > http://www.chemspider.com > http://www.chemspider.com/Chemical-Structure.105677.html > 118246 1 > 1 3 > 23 1 5 14 24 6 3 15 5 4 48 6 5 49 5 6 50 6 7 51 6 9 19 5 $$$$