66878816 -OEChem-04252422253D 36 37 0 0 0 0 0 0 0999 V2000 2.0160 2.4404 0.7471 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2578 0.1490 0.1179 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0618 0.5868 -0.6931 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4731 2.7111 0.1584 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9640 -3.5671 -0.1921 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3882 -1.1789 -0.5169 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1854 1.5465 -1.2462 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1757 0.6960 -0.5247 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1398 0.9058 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1642 1.6331 -0.5623 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8501 -2.2503 0.4225 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0988 -0.6939 -0.6152 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4238 0.5941 0.9089 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0249 -1.4891 0.0599 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1787 1.2906 0.2411 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0278 -0.8945 0.8258 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1046 0.4953 0.9165 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9427 -2.9751 -0.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4379 -1.3766 -0.7688 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8425 -1.1924 -1.4695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0368 1.1505 -2.2597 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5855 2.5588 -1.3919 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7998 -2.0555 0.6675 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4090 -2.2451 1.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3197 -1.1592 -1.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8608 1.5003 0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1395 0.7804 1.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2099 -0.1689 0.9272 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2495 2.3720 0.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7563 -1.5029 1.3552 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8853 0.9582 1.5129 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4977 -3.3258 -0.9124 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9023 -3.3065 -0.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3583 -3.4547 0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5549 -4.2657 0.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4177 -3.5932 -1.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 9 1 0 0 0 0 2 6 1 0 0 0 0 2 9 1 0 0 0 0 2 13 1 0 0 0 0 3 9 2 0 0 0 0 3 10 1 0 0 0 0 4 10 2 0 0 0 0 5 11 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 11 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 12 1 0 0 0 0 8 15 2 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 14 2 0 0 0 0 12 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 16 1 0 0 0 0 14 18 1 0 0 0 0 15 17 1 0 0 0 0 15 29 1 0 0 0 0 16 17 2 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 M END > 66878816 > 0.8 > 1 59 18 589 113 427 592 513 127 465 449 55 5 341 288 30 57 622 661 62 438 202 254 72 115 523 315 53 287 654 552 432 253 160 532 577 275 412 452 11 2 187 220 397 119 7 40 598 482 487 517 374 527 227 618 464 12 6 110 168 214 39 486 429 321 150 537 56 244 190 125 245 373 61 77 291 136 9 285 651 41 111 645 107 37 420 93 428 212 336 16 481 666 54 153 13 45 24 364 208 246 79 359 234 183 491 240 117 26 405 534 101 238 19 129 149 138 306 448 3 10 348 85 137 15 163 194 197 95 87 4 38 123 104 273 307 314 63 459 525 17 191 > 24 1 0.18 10 0.34 11 0.27 12 -0.15 13 0.37 14 -0.14 15 -0.15 16 -0.15 17 -0.15 18 0.14 2 -0.82 25 0.15 29 0.15 3 -0.57 30 0.15 31 0.15 35 0.36 36 0.36 4 -0.51 5 -0.99 6 0.37 7 0.32 8 -0.14 9 0.46 > 5 > 6 1 5 cation 1 5 donor 3 2 3 9 cation 3 3 4 10 cation 5 1 3 4 9 10 rings 6 8 12 14 15 16 17 rings > 18 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 03FC7D6000000001 > 36.2406 > 30.686 > 10616163 171 18338520857885286127 11552529 35 17987796440203118711 117890 22 18410298016375905855 12251169 10 18343023328263162477 12506688 2 18410573946871337328 12553582 1 18411133598247723030 12596599 1 18130241366826457218 12596602 18 17203611531300034746 12633257 1 18411416228317422243 12670546 177 11819000685908245985 12892183 10 18273217499610642329 13533116 47 18271525411882918695 13583140 156 17702938279156934937 14178342 30 18268140040585902897 14251705 54 18409448064081411230 14617045 38 18336278854960470878 14866123 147 17188414867586290547 14916288 52 18266457603354872638 15375462 189 18411136935384681168 15422964 175 18410005507992293172 17804303 29 18411430509474246949 17834074 16 18408886230507854180 1813 80 17240773873499775805 19141452 34 18409449198263610909 20281475 54 18335703866250577388 20291156 8 18335986354902743194 20361792 2 16878498072497959117 20442098 301 18341046406134693207 20645477 70 18116699915020619525 21065199 12 18270963560987730673 21673915 165 18339077210911281090 22445834 79 18268996569176980077 2255824 54 18117847826440253444 23559900 14 18339071722054125889 314173 41 18340216214995088836 7097593 13 18341619264883783809 > 354.36 8.49 3.5 0.98 0.16 2.34 0.01 3.32 -2.39 1.62 -0.04 -0.16 -0.25 0.48 > 721.47 > 208.9 > 2 5 10 $$$$