76026371 -OEChem-04242404282D 145148 0 1 0 0 0 0 0999 V2000 6.9327 4.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6603 -2.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6647 1.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9282 -2.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6603 -5.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1962 -5.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3968 4.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8609 4.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1962 -2.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1288 1.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3346 3.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2006 1.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -2.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0667 6.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3346 4.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -6.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 -5.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6647 3.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3578 1.1081 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9282 -4.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9327 2.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3968 2.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1962 -3.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8609 2.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1288 3.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4641 -4.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -3.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2006 5.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7987 2.9400 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7987 1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9327 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5308 3.4400 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8296 0.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7942 -3.5600 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.0622 -4.0600 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9327 3.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6647 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8511 0.2451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5308 4.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0249 1.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7942 -2.5600 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.0622 -5.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9282 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0667 3.4400 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.4975 -0.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6603 -4.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6647 4.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9949 3.4400 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5405 -0.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3301 -3.5600 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.9282 -5.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1962 -4.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9282 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3968 3.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1868 -1.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0667 4.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2083 -1.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2628 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1288 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9949 4.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3301 -2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7987 4.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6647 5.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2006 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9282 -6.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7942 -5.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -4.0600 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4641 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9327 4.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7987 6.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2006 4.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7942 -7.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6603 -5.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -5.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9327 5.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6603 -6.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -5.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3356 2.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0108 1.3574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4093 2.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0677 3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2017 3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2573 -3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5252 -4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1413 4.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7428 5.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8970 2.4518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7942 -1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4516 -4.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8501 -5.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7415 1.1750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4651 -4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4696 2.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9337 2.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6036 3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1042 -0.1652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7331 -3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5318 3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9338 -0.8333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7932 -3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3978 2.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2382 -1.5231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3913 -1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6182 -2.5969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6009 -1.7050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6772 4.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2787 5.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0157 -2.0391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8643 2.4651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6613 2.4651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7828 5.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3843 4.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0010 -4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6658 3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1181 -1.9774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7195 -2.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7987 3.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2017 6.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3913 -6.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7942 -4.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6603 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 -4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3958 4.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7987 7.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7942 -7.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1972 -5.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9875 -4.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3860 -5.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1972 -6.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 -3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8609 5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1962 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7977 3.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6637 6.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7376 6.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0667 7.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -3.0850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -3.0850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9272 -6.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 38 2 0 0 0 0 2 43 1 0 0 0 0 2125 1 0 0 0 0 3 39 2 0 0 0 0 4 45 2 0 0 0 0 5 48 2 0 0 0 0 6 54 2 0 0 0 0 7 56 2 0 0 0 0 8 62 1 0 0 0 0 8135 1 0 0 0 0 9 63 1 0 0 0 0 9136 1 0 0 0 0 10 61 2 0 0 0 0 11 66 1 0 0 0 0 11137 1 0 0 0 0 12 66 2 0 0 0 0 13 70 2 0 0 0 0 14 77 1 0 0 0 0 14140 1 0 0 0 0 15 73 2 0 0 0 0 16 79 1 0 0 0 0 16143 1 0 0 0 0 17 79 2 0 0 0 0 18 80 2 0 0 0 0 19 31 1 0 0 0 0 19 39 1 0 0 0 0 19 86 1 0 0 0 0 20 40 1 0 0 0 0 20 42 1 0 0 0 0 20 95 1 0 0 0 0 21 36 1 0 0 0 0 21 45 1 0 0 0 0 21 96 1 0 0 0 0 22 38 1 0 0 0 0 22 46 1 0 0 0 0 22 97 1 0 0 0 0 23 34 1 0 0 0 0 23 56 1 0 0 0 0 23 98 1 0 0 0 0 24 37 1 0 0 0 0 24 54 1 0 0 0 0 24101 1 0 0 0 0 25 48 1 0 0 0 0 25 50 1 0 0 0 0 25105 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 26118 1 0 0 0 0 27 52 1 0 0 0 0 27 70 1 0 0 0 0 27117 1 0 0 0 0 28 69 1 0 0 0 0 28 80 1 0 0 0 0 28134 1 0 0 0 0 29 73 1 0 0 0 0 29138 1 0 0 0 0 29139 1 0 0 0 0 30 81 1 0 0 0 0 30144 1 0 0 0 0 30145 1 0 0 0 0 31 32 1 0 0 0 0 31 38 1 0 0 0 0 31 82 1 0 0 0 0 32 33 1 0 0 0 0 32 83 1 0 0 0 0 32 84 1 0 0 0 0 33 35 1 0 0 0 0 33 42 2 0 0 0 0 34 39 1 0 0 0 0 34 41 1 0 0 0 0 34 85 1 0 0 0 0 35 40 1 0 0 0 0 35 47 2 0 0 0 0 36 43 1 0 0 0 0 36 48 1 0 0 0 0 36 87 1 0 0 0 0 37 44 1 0 0 0 0 37 45 1 0 0 0 0 37 88 1 0 0 0 0 40 51 2 0 0 0 0 41 49 1 0 0 0 0 41 89 1 0 0 0 0 41 90 1 0 0 0 0 42 91 1 0 0 0 0 43 55 1 0 0 0 0 43 92 1 0 0 0 0 44 53 1 0 0 0 0 44 93 1 0 0 0 0 44 94 1 0 0 0 0 46 58 1 0 0 0 0 46 66 1 0 0 0 0 46 99 1 0 0 0 0 47 57 1 0 0 0 0 47100 1 0 0 0 0 49 64 2 0 0 0 0 49 65 1 0 0 0 0 50 61 1 0 0 0 0 50 62 1 0 0 0 0 50102 1 0 0 0 0 51 59 1 0 0 0 0 51103 1 0 0 0 0 52 54 1 0 0 0 0 52 63 1 0 0 0 0 52104 1 0 0 0 0 53 67 2 0 0 0 0 53 68 1 0 0 0 0 55106 1 0 0 0 0 55107 1 0 0 0 0 55108 1 0 0 0 0 56 60 1 0 0 0 0 57 59 2 0 0 0 0 57109 1 0 0 0 0 58 73 1 0 0 0 0 58110 1 0 0 0 0 58111 1 0 0 0 0 59112 1 0 0 0 0 60113 1 0 0 0 0 60114 1 0 0 0 0 62115 1 0 0 0 0 62116 1 0 0 0 0 63119 1 0 0 0 0 63120 1 0 0 0 0 64 71 1 0 0 0 0 64121 1 0 0 0 0 65 72 2 0 0 0 0 65122 1 0 0 0 0 67 74 1 0 0 0 0 67123 1 0 0 0 0 68 75 2 0 0 0 0 68124 1 0 0 0 0 69 70 1 0 0 0 0 69 76 1 0 0 0 0 69126 1 0 0 0 0 71 77 2 0 0 0 0 71127 1 0 0 0 0 72 77 1 0 0 0 0 72128 1 0 0 0 0 74 78 2 0 0 0 0 74129 1 0 0 0 0 75 78 1 0 0 0 0 75130 1 0 0 0 0 76 79 1 0 0 0 0 76131 1 0 0 0 0 76132 1 0 0 0 0 78133 1 0 0 0 0 80 81 1 0 0 0 0 81141 1 0 0 0 0 81142 1 0 0 0 0 M END > 76026371 > 1 > 2210 > 19 > 18 > 32 > AAADcfB//gAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFgB9AAAHgAQCAAADDzhngY+zvLJkgCoAzX3XACCgCAxIiAI2aG+bJgKdv7C0bOUcAhm9hHY2Ae/yeCOoAAAAAACAABAAAAAAAQAAAAAAAAAAA== > 4-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-3-carboxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-oxo-butanoic acid > 4-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-1-oxoethyl)amino]-3-carboxy-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-oxobutanoic acid > 4-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoic acid > 4-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoic acid > 4-azanyl-2-[[2-[[2-[2-[[2-[[2-[[2-[[2-[[2-(2-azanylethanoylamino)-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]ethanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-oxidanylidene-butanoic acid > 4-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[3-carboxy-2-(glycylamino)propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-keto-butyric acid > InChI=1S/C51H64N12O18/c1-25(66)43(63-48(77)33(15-26-7-3-2-4-8-26)58-49(78)38(24-65)61-47(76)35(19-42(71)72)56-40(69)20-52)50(79)62-37(23-64)44(73)55-22-41(70)57-32(16-27-11-13-29(67)14-12-27)45(74)59-34(46(75)60-36(51(80)81)18-39(53)68)17-28-21-54-31-10-6-5-9-30(28)31/h2-14,21,25,32-38,43,54,64-67H,15-20,22-24,52H2,1H3,(H2,53,68)(H,55,73)(H,56,69)(H,57,70)(H,58,78)(H,59,74)(H,60,75)(H,61,76)(H,62,79)(H,63,77)(H,71,72)(H,80,81) > IBBCDRCKGIIDCT-UHFFFAOYSA-N > -6.6 > 1132.44615324 > C51H64N12O18 > 1133.1 > CC(C(C(=O)NC(CO)C(=O)NCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CC(=O)N)C(=O)O)NC(=O)C(CC4=CC=CC=C4)NC(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)CN)O > CC(C(C(=O)NC(CO)C(=O)NCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CC(=O)N)C(=O)O)NC(=O)C(CC4=CC=CC=C4)NC(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)CN)O > 502 > 1132.44615324 > 0 > 81 > 0 > 9 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 43 2 3 20 40 8 20 42 8 31 32 3 33 35 8 33 42 8 34 41 3 35 40 8 35 47 8 36 48 3 37 44 3 40 51 8 46 58 3 47 57 8 49 64 8 49 65 8 50 62 3 51 59 8 52 63 3 53 67 8 53 68 8 57 59 8 64 71 8 65 72 8 67 74 8 68 75 8 69 76 3 71 77 8 72 77 8 74 78 8 75 78 8 $$$$