123854 -OEChem-04252417213D 54 55 0 1 0 0 0 0 0999 V2000 8.6469 1.1614 -1.2758 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.6609 0.9307 1.4375 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2836 -0.4579 1.6010 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2778 -0.1803 -1.6496 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2308 0.8759 -1.5425 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2416 0.5892 1.6526 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7774 1.9579 1.1879 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7993 2.1241 -0.8667 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0741 -2.6410 1.0761 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0436 -2.4385 -1.4772 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8660 0.2892 -2.1351 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4293 2.5971 -1.2552 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8705 -0.0566 2.1516 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4598 2.3542 1.6425 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7265 -0.4234 -0.6400 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7220 -0.4911 0.5701 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6245 -0.3615 1.1690 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6200 -0.1677 -1.2109 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5759 0.5466 0.3754 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.5820 0.5830 -0.2894 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7126 -0.9780 0.4327 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7013 -0.9154 -0.5851 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5202 -0.5817 0.5228 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5150 -0.4998 -0.6015 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2260 0.8421 0.9748 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2354 0.9837 -0.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9473 -0.5483 -0.0336 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9412 -0.4884 -0.0425 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3764 -1.4670 0.9272 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3593 -1.3058 -1.1469 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0048 -0.5956 1.0691 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9980 -0.3740 -1.1411 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4197 -0.4924 0.5427 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4141 -0.3704 -0.6079 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3521 1.0465 0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3635 1.1600 -0.7932 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9527 -1.4513 -0.5226 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4712 -1.2635 1.1695 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9365 -1.5351 0.2838 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4562 -1.0904 -1.3592 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3710 -1.5039 1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3790 0.2576 1.2144 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3924 -1.3524 -1.2801 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3476 0.4102 -1.1903 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0849 0.3630 -0.6292 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0960 -1.3928 -0.7182 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1141 -1.4042 0.5368 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0551 0.3487 0.6578 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9161 -1.5371 1.6227 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8427 0.2386 1.7615 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8424 0.5579 -1.6967 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9010 -1.2184 -1.8329 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4724 -0.0649 -1.7117 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4725 -0.3691 1.6719 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 11 2 0 0 0 0 1 12 2 0 0 0 0 1 19 1 0 0 0 0 2 6 1 0 0 0 0 2 13 2 0 0 0 0 2 14 2 0 0 0 0 2 20 1 0 0 0 0 3 17 1 0 0 0 0 3 33 1 0 0 0 0 4 18 1 0 0 0 0 4 34 1 0 0 0 0 5 53 1 0 0 0 0 6 54 1 0 0 0 0 7 25 2 0 0 0 0 8 26 2 0 0 0 0 9 29 2 0 0 0 0 10 30 2 0 0 0 0 15 33 2 0 0 0 0 16 34 2 0 0 0 0 17 25 1 0 0 0 0 17 29 1 0 0 0 0 18 26 1 0 0 0 0 18 30 1 0 0 0 0 19 21 1 0 0 0 0 19 25 1 0 0 0 0 19 35 1 0 0 0 0 20 22 1 0 0 0 0 20 26 1 0 0 0 0 20 36 1 0 0 0 0 21 29 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 30 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 27 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 28 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 27 31 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 28 32 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 31 33 1 0 0 0 0 31 49 1 0 0 0 0 31 50 1 0 0 0 0 32 34 1 0 0 0 0 32 51 1 0 0 0 0 32 52 1 0 0 0 0 M END > 123854 > 1.4 > 1 121 186 149 9 87 151 30 33 13 70 29 153 95 4 84 181 173 3 171 104 60 39 145 48 155 53 12 81 133 20 142 152 168 52 107 163 108 88 15 154 188 56 109 190 79 110 128 85 42 68 164 76 113 131 27 182 158 124 101 150 28 137 193 105 22 144 191 57 6 170 74 21 45 165 147 103 146 159 75 92 148 175 183 132 114 93 192 19 37 91 10 174 169 31 143 180 184 127 23 83 26 90 49 111 78 82 167 5 187 50 11 36 99 86 120 73 118 179 66 112 141 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18060144189393830386 11315181 36 17821722841638417383 11534866 41 12179836213980937312 12089408 11 18411131437584092159 14428016 248 18411703196663072113 14937079 2 18200584925537632144 15065858 18 13767919118211495919 15461852 350 18272085037178485239 15510794 2 16226047769670337890 1754908 1 15140959547600468969 1754911 235 14764346028956419949 17686467 74 15719389534404230533 21095123 145 18412544349693385239 21772524 286 17845096169454275097 21792961 116 13830138277977896755 4625314 4 15410604921651845914 59682541 35 15936410039386962197 6081469 158 14836125464096308896 67123 10 17967529081874823838 9962374 69 13262688057660415951 > 615.27 46.42 1.85 1.79 0.23 0.32 -0.09 11.67 -1.33 -1.03 0.03 0.98 0.28 -4.31 > 1251.863 > 355.7 > 2 5 10 $$$$