70241402 -OEChem-04252402243D 48 49 0 1 0 0 0 0 0999 V2000 0.6408 0.8003 0.2238 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0614 1.3510 -0.9603 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6823 -0.9800 -1.7999 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6973 -0.2961 1.6104 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7583 0.4978 2.4615 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5146 3.3460 0.5444 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7827 3.4584 0.6546 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4143 -5.1102 0.6103 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3735 0.9543 -2.0574 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4002 2.3145 0.3130 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0302 0.4594 0.0407 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7174 1.6717 -0.6247 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9832 -0.8342 -0.7958 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0857 -1.9622 -0.4244 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4483 0.2244 1.4869 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7664 2.9177 0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1057 -2.3968 -1.3168 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2253 -2.5853 0.8157 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0551 1.0180 -0.9156 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4636 1.3586 -0.5923 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7343 -3.4547 -0.9693 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3854 -3.6431 1.1634 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5945 -4.0778 0.2708 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1904 2.1963 -1.4385 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0599 0.8420 0.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5131 2.5175 -1.1342 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3826 1.1632 0.8623 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1092 2.0009 0.0163 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3940 -5.5035 -0.3496 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9472 1.7518 1.5046 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2700 1.9863 -1.5682 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 -1.9207 -2.2867 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9984 -2.2995 1.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 1.0419 -0.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4734 -3.7414 -1.7096 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5038 -4.1300 2.1276 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9480 -0.4247 2.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7390 2.6094 -2.3367 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5215 0.1764 1.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5284 4.1399 1.1204 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0740 3.1712 -1.7965 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7847 0.7252 1.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9565 -6.3361 0.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9297 -5.8768 -1.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1121 -4.6996 -0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9877 0.6585 1.4515 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4180 2.1048 2.3963 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9801 2.1062 1.5848 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 19 1 0 0 0 0 2 12 1 0 0 0 0 2 34 1 0 0 0 0 3 13 2 0 0 0 0 4 15 1 0 0 0 0 4 37 1 0 0 0 0 5 15 2 0 0 0 0 6 16 1 0 0 0 0 6 40 1 0 0 0 0 7 16 2 0 0 0 0 8 23 1 0 0 0 0 8 29 1 0 0 0 0 9 19 2 0 0 0 0 10 28 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 17 21 1 0 0 0 0 17 32 1 0 0 0 0 18 22 2 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 20 24 2 0 0 0 0 20 25 1 0 0 0 0 21 23 2 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 24 26 1 0 0 0 0 24 38 1 0 0 0 0 25 27 2 0 0 0 0 25 39 1 0 0 0 0 26 28 2 0 0 0 0 26 41 1 0 0 0 0 27 28 1 0 0 0 0 27 42 1 0 0 0 0 29 43 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 30 46 1 0 0 0 0 30 47 1 0 0 0 0 30 48 1 0 0 0 0 M END > 70241402 > 1 > 1 18 47 44 62 57 90 66 33 83 41 40 25 52 54 60 82 79 13 46 12 73 38 78 20 89 6 68 71 58 11 85 34 45 28 70 42 86 37 59 49 36 17 15 61 43 64 88 16 77 84 22 76 7 51 9 23 14 39 69 74 56 29 87 24 27 65 19 21 8 48 26 80 30 53 50 5 63 3 67 4 75 10 35 32 31 2 81 72 55 > 41 1 -0.43 10 -0.36 11 0.4 12 0.34 13 0.42 14 0.09 15 0.66 16 0.66 17 -0.15 18 -0.15 19 0.63 2 -0.68 20 0.09 21 -0.15 22 -0.15 23 0.08 24 -0.15 25 -0.15 26 -0.15 27 -0.15 28 0.08 29 0.28 3 -0.57 30 0.28 32 0.15 33 0.15 34 0.4 35 0.15 36 0.15 37 0.5 38 0.15 39 0.15 4 -0.65 40 0.5 41 0.15 42 0.15 5 -0.57 6 -0.65 7 -0.57 8 -0.36 9 -0.57 > 10 > 14 1 10 acceptor 1 2 acceptor 1 2 donor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 7 acceptor 1 8 acceptor 1 9 acceptor 3 4 5 15 anion 3 6 7 16 anion 6 14 17 18 21 22 23 rings 6 20 24 25 26 27 28 rings > 30 > 1 > 1 > 0 > 0 > 0 > 1 > 1 > 042FCC7A00000001 > 105.1051 > 71.186 > 10006869 2 17186987134922121280 1100329 8 18410568453951342942 11135609 149 16607112983246038189 11421498 54 17693396446519948668 114674 6 17900833652170658995 11582403 64 15439252546995573012 12156800 1 17688909691591030437 12160290 23 17982140599396869093 12788726 201 17907562980563940275 13004483 165 17330544857648837752 13140716 1 18410007732563767325 13149001 5 18128561335024169190 13533116 47 17908427949256637593 13540713 4 17914910966145811908 13911987 19 17831616118047291310 14863182 85 18120657937610726182 15422964 175 17255951282669422574 17138139 8 17625777851960162159 20775530 9 17038948344182473963 2255824 54 18198622133751040965 23419403 2 16694479425511709356 23558518 356 18122340439667621556 23559900 14 17611188157087520821 238 59 18268161863546758211 23845131 108 18339918320559300585 283562 15 17470435696613712648 3178227 256 18265063435410812976 35225 105 17843962782790621667 5309563 4 17762898767282782471 57527573 199 17416942059230478816 613672 6 16965749457127668551 6442390 28 18410018757897680045 653340 110 18195815291577817635 7399639 24 18261393313254127773 81228 2 17759237788393441556 9777508 108 18268153243478900945 > 558.69 7.58 6.67 1.66 13.65 10.78 0.16 -7.21 2.27 -2.3 0.24 -0.34 -0.25 0.37 > 1203.122 > 304.6 > 2 5 10 $$$$