10446132 -OEChem-03282406183D 39 38 0 1 0 0 0 0 0999 V2000 -2.3609 -3.0493 -0.7310 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0210 -2.0392 1.2700 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5627 -0.5523 1.6896 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9285 -1.1057 -0.4773 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0088 1.6367 1.3766 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0622 1.2451 -0.8609 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1781 0.2313 -0.1289 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2878 1.2873 -1.4370 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1806 0.8336 0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 0.4879 -0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1872 -0.1168 -0.5045 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1346 -0.6734 -0.7508 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6691 1.3931 0.4338 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5300 -0.0403 -0.8815 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1159 1.1153 0.0062 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1765 0.4451 0.4189 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1614 -1.9592 0.0564 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5805 -0.2820 0.3611 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4988 1.1428 0.2213 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9647 1.8689 -0.1281 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0749 0.7759 1.2545 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8216 -0.5555 0.0452 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7090 0.5538 -1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4221 -1.1437 -0.2001 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3098 -0.0535 -1.5929 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8030 -0.9172 -1.7694 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4264 2.4399 0.2081 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5869 1.2863 1.5228 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3646 1.1885 -0.4278 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4669 0.8046 -1.5809 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2046 -0.7681 -1.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7856 1.8196 0.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5106 1.1549 0.9219 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3493 -0.4058 1.0866 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9969 2.2265 -1.7057 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2767 1.2174 -1.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3770 -3.8791 -0.2082 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8604 -1.4671 1.8813 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8712 2.0824 1.2353 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 37 1 0 0 0 0 2 17 2 0 0 0 0 3 18 1 0 0 0 0 3 38 1 0 0 0 0 4 18 2 0 0 0 0 5 19 1 0 0 0 0 5 39 1 0 0 0 0 6 19 2 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 29 1 0 0 0 0 8 15 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 13 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 14 1 0 0 0 0 12 17 1 0 0 0 0 12 26 1 0 0 0 0 13 15 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 30 1 0 0 0 0 14 31 1 0 0 0 0 15 18 1 0 0 0 0 15 32 1 0 0 0 0 16 19 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 M END > 10446132 > 1 > 1 66 69 86 101 78 22 13 31 42 84 30 48 20 19 46 26 2 96 90 89 75 73 39 59 28 38 3 43 52 63 88 23 35 68 44 104 32 50 85 71 7 17 95 6 16 57 67 49 12 14 40 81 21 34 79 47 4 37 51 80 70 97 82 11 25 5 10 18 29 72 54 55 76 65 24 77 64 92 9 41 33 15 58 87 36 56 61 45 62 102 53 99 100 103 91 94 8 74 27 98 60 83 93 > 21 1 -0.65 11 0.27 12 0.33 15 0.33 16 0.06 17 0.66 18 0.66 19 0.66 2 -0.57 29 0.36 3 -0.65 35 0.36 36 0.36 37 0.5 38 0.5 39 0.5 4 -0.57 5 -0.65 6 -0.57 7 -0.9 8 -0.99 > 11 > 13 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 7 cation 1 7 donor 1 8 cation 1 8 donor 3 1 2 17 anion 3 3 4 18 anion 3 5 6 19 anion > 19 > 2 > 0 > 0 > 0 > 0 > 1 > 1 > 009F653400000001 > 12.1391 > 66.15 > 11036077 3 17967534554159102947 11089746 13 17703783725919842568 11405975 8 18339077211090518880 11796584 16 18342177795753740062 12596602 18 17095527296749885025 12616971 3 17168134681219304196 13533116 47 17631734851219478518 13914758 101 15625952988466923019 1420 363 12612754609683772661 14251718 22 9439403527666942892 14251732 16 10881409737587031140 14251758 9 18131358509626694804 15183329 4 18343582927910003820 15537594 2 17458054963529504098 17844677 252 18197783408590754656 19489759 90 17132397211320357761 200 152 11455892464430403673 20281389 69 18407757041010179389 20621476 66 18335706056673478540 20645477 56 18333165072775287941 21618674 57 18341890805321395472 220451 1 18113617911293307772 23402539 116 18201995543289850621 23559900 14 18271802471554309904 2838139 119 17703786999318223753 300161 21 18410290354834692728 3009799 131 13542462047249247169 5104073 3 18261666099474432568 559249 180 18411414029336741263 59755656 215 18271813367769957806 59755656 520 18410287026382725319 633830 44 17531524403638352216 > 345.83 17.05 2.06 1.14 6.58 1.44 -0.17 -6.2 -1.52 -1.96 -0.07 0.18 0 -0.92 > 664.757 > 209.1 > 2 5 10 $$$$