10289076 -OEChem-04202400323D 57 59 0 0 0 0 0 0 0999 V2000 2.3596 2.0721 1.0677 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 -2.4643 -0.8584 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.7968 2.1049 -1.4756 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.9041 1.3973 0.5718 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.5734 3.5087 0.1699 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0465 -1.5227 0.4296 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5942 -3.2839 2.2389 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7064 -2.0966 0.2984 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1076 0.7768 -1.1551 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7776 1.4306 0.3476 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4480 0.7789 -0.8224 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0926 1.6222 0.9917 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3909 0.0957 -1.7315 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4415 0.4874 1.9754 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9351 -1.2912 -2.2246 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4392 1.4292 -0.2302 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0118 1.6381 -0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8119 0.6669 2.6091 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9514 -2.1826 -0.4763 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7077 1.5166 -1.4228 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6490 1.9607 0.9513 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7487 2.0407 -0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0879 1.7180 -1.4264 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0292 2.1620 0.9478 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9766 -2.3962 -1.4508 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3680 -2.1763 -1.1521 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5817 -1.7490 0.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7378 -1.7426 0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2372 -1.5290 1.0955 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2245 2.2559 -0.2446 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3986 -2.4096 -2.2071 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6000 -2.2951 1.4931 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0656 -2.5235 1.2471 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8763 1.6923 0.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1208 2.5803 1.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3772 -0.0133 -1.2645 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5449 0.7359 -2.6096 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6849 0.4361 2.7679 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4154 -0.4768 1.4534 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7230 -1.7066 -2.8627 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0414 -1.2052 -2.8502 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5964 0.6806 1.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8625 1.6045 3.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0222 -0.1563 3.2991 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2147 1.2670 -2.3592 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1542 2.0421 1.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2566 -2.7454 -2.4421 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6312 1.6178 -2.3619 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5372 2.4061 1.8771 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3277 -1.5771 1.5691 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0348 -1.1844 2.0895 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0678 -3.2231 -1.9085 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9893 -1.5027 -2.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9479 -2.6849 -3.1666 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4828 -1.7402 2.4294 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1099 -3.2740 1.5597 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5516 -3.4491 2.1027 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 16 1 0 0 0 0 2 15 1 0 0 0 0 2 19 1 0 0 0 0 3 30 1 0 0 0 0 4 30 1 0 0 0 0 5 30 1 0 0 0 0 6 28 1 0 0 0 0 6 32 1 0 0 0 0 7 33 1 0 0 0 0 7 57 1 0 0 0 0 8 33 2 0 0 0 0 9 11 1 0 0 0 0 9 16 2 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 15 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 18 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 25 2 0 0 0 0 19 27 1 0 0 0 0 20 23 1 0 0 0 0 20 45 1 0 0 0 0 21 24 2 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 22 30 1 0 0 0 0 23 48 1 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 26 28 2 0 0 0 0 26 31 1 0 0 0 0 27 29 2 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 29 51 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 32 33 1 0 0 0 0 32 55 1 0 0 0 0 32 56 1 0 0 0 0 M END > 10289076 > 1 > 1 47 9 5 49 135 37 129 31 75 14 24 100 15 17 32 78 138 34 44 134 65 70 74 127 141 18 63 72 119 13 39 147 61 20 77 4 123 59 11 68 46 99 126 88 52 22 107 28 111 143 2 104 36 122 8 27 132 29 10 73 108 76 7 69 125 45 67 120 48 16 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18338233748444077090 13692114 37 18340765932581616823 13726171 33 18118144647952726484 144659 39 18336532851015724232 15968369 153 18272647957140598629 17492 54 18048057185239861438 17980427 23 18189037842276097188 20691752 17 17240490182071981127 20775438 99 18268128882751881583 20905425 154 18265635306549618471 22182313 1 18272098201210763438 23559900 14 18340498781352870492 244849 19 18060426802832312244 3052486 1 17822308897508264223 4340502 62 18341608174951509228 460360 51 18409167697322197178 469060 322 17896333560914065737 508706 21 18334021596654555687 5265222 85 18196936798255790808 57828716 16 17240486926507830930 > 642.41 11.31 4.26 2.17 3.71 0.73 -0.24 -3.25 -5.27 -4.37 -0.12 1.27 0.9 3.54 > 1342.854 > 369.6 > 2 5 10 $$$$