866 -OEChem-03282412493D 24 23 0 1 0 0 0 0 0999 V2000 -2.2075 1.6185 -0.7760 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5375 0.6972 1.2682 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8558 -1.7600 0.5238 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5392 0.3714 0.1142 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7841 -0.2591 0.0754 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2456 -0.6468 -0.9944 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2092 -0.1237 -0.4668 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6938 -0.7206 -0.4939 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1892 0.2388 0.6489 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1815 0.5844 0.1007 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7870 -1.0120 0.8722 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4945 0.6921 0.5378 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0383 -1.6128 -1.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1914 0.0867 -1.8092 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2299 0.6466 -1.2478 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5101 -1.0686 -0.9364 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3597 -0.9665 -1.3289 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1815 -0.5330 1.4263 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8959 1.1854 1.1153 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2906 -1.5447 1.3436 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5052 -2.6473 0.1647 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8339 -0.5131 -0.2977 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1878 0.5614 0.8771 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5340 2.4441 -0.3589 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 24 1 0 0 0 0 2 10 2 0 0 0 0 3 8 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 9 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 10 1 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 M END > 866 > 0.6 > 1 114 64 79 55 99 30 107 105 62 94 23 90 11 85 110 86 115 18 92 84 108 78 5 81 106 4 13 98 43 6 70 95 93 48 101 80 69 32 12 112 113 96 60 82 103 88 76 38 89 61 45 28 65 104 100 15 33 10 44 26 51 83 40 52 72 27 49 97 67 111 71 16 31 66 54 2 25 3 24 36 14 29 73 53 42 9 102 59 34 21 22 47 46 91 77 7 109 37 17 63 75 58 56 74 35 50 87 57 20 39 68 19 8 41 > 12 1 -0.65 10 0.66 2 -0.57 20 0.36 21 0.36 22 0.36 23 0.36 24 0.5 3 -0.99 4 -0.99 8 0.33 9 0.27 > 5 > 7 1 1 acceptor 1 2 acceptor 1 3 cation 1 3 donor 1 4 cation 1 4 donor 3 1 2 10 anion > 10 > 0 > 1 > 0 > 0 > 0 > 1 > 1 > 0000036200000001 > 0.7402 > 35.58 > 11127187 94 10735865158725924641 124424 183 18131060512047966050 12897270 3 11095876051636763406 12932764 1 18187362125797530832 13024252 1 16660358195325319863 14390081 3 17632576037269106098 20211469 26 15430322463920647035 20645464 45 18343588421099166558 20653085 51 15983996817091189515 23402539 116 18341603871947965695 23500284 214 18060147500613298457 3248919 1 18334573572892838870 > 184.09 6.13 1.26 0.98 7.25 0.08 -0.03 -1.62 -0.95 -1.16 -0.01 -0.42 -0.06 0.24 > 338.013 > 116.4 > 2 5 10 $$$$