51360491 -OEChem-04262402152D 153154 0 1 0 0 0 0 0999 V2000 12.3366 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8725 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4084 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0065 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4084 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8725 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4706 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6046 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2026 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3366 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8007 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1736 0.8078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1405 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7385 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1405 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7385 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5424 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9347 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3366 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0687 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8725 -2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2744 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8725 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7385 2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2744 -1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6046 3.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0065 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5424 -0.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4084 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0065 1.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1405 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9324 -0.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8725 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4084 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0687 -2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4553 -1.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9816 -1.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0687 3.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2026 2.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.0687 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8725 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7385 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0065 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9347 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4706 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6046 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6046 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1405 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6764 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7385 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0065 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0687 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9927 -0.2183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4706 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2744 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2026 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8725 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2026 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9347 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9347 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8007 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9347 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0687 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8007 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9347 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8191 0.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2267 -0.8610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8794 1.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2870 -0.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1133 0.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4094 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3356 -2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2016 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7494 -1.1015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0676 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0054 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4696 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5482 -0.4883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0044 0.0555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 3.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6605 2.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2755 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6056 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6056 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0997 -0.5658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9475 -1.4293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8110 -1.5815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5431 -1.6455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4200 -1.6455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4200 -0.7687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0054 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2026 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4581 -2.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8566 -3.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4285 -4.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2755 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0485 -2.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6965 -2.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4696 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3165 -4.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3978 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2246 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6046 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9846 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5205 -3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1405 -3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7605 -3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9864 0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1394 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3664 -0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3585 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7385 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1185 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6265 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0065 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3865 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8566 4.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4581 3.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8691 -1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0721 -1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5844 2.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7375 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9644 0.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4925 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8725 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2525 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6247 1.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4716 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2447 3.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3366 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3147 -4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9347 -5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5547 -4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1107 -3.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3377 -2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4907 -2.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4581 0.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8566 -0.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6056 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4907 -2.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3377 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1107 -1.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2447 3.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4716 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6247 5.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2940 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3343 -1.4716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7717 1.7191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8120 -0.9175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6106 1.9002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8923 2.4032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 1.6849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 39 1 0 0 0 0 1 45 1 0 0 0 0 2 27 2 0 0 0 0 3 29 2 0 0 0 0 4 31 2 0 0 0 0 5 34 2 0 0 0 0 6 41 2 0 0 0 0 7 45 2 0 0 0 0 8 47 2 0 0 0 0 9 56 2 0 0 0 0 10 58 2 0 0 0 0 11 62 2 0 0 0 0 12 70 1 0 0 0 0 12 71 1 0 0 0 0 13 25 1 0 0 0 0 13 27 1 0 0 0 0 13 48 1 0 0 0 0 14 21 1 0 0 0 0 14 47 1 0 0 0 0 14 50 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 15 55 1 0 0 0 0 16 24 1 0 0 0 0 16 41 1 0 0 0 0 16 83 1 0 0 0 0 17 28 1 0 0 0 0 17 34 1 0 0 0 0 17 92 1 0 0 0 0 18 35 1 0 0 0 0 18 62 1 0 0 0 0 18 64 1 0 0 0 0 19 54 1 0 0 0 0 19 56 1 0 0 0 0 19131 1 0 0 0 0 20 58 1 0 0 0 0 20 63 1 0 0 0 0 20140 1 0 0 0 0 21 23 1 1 0 0 0 21 27 1 0 0 0 0 21 72 1 0 0 0 0 22 29 1 0 0 0 0 22 31 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 23 73 1 0 0 0 0 24 26 1 0 0 0 0 24 33 1 6 0 0 0 24 74 1 0 0 0 0 25 32 1 6 0 0 0 25 34 1 0 0 0 0 25 75 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 6 0 0 0 26 76 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 28 77 1 0 0 0 0 30 41 1 0 0 0 0 30 51 1 1 0 0 0 30 78 1 0 0 0 0 32 53 1 0 0 0 0 32 79 1 0 0 0 0 32 80 1 0 0 0 0 33 57 1 0 0 0 0 33 81 1 0 0 0 0 33 82 1 0 0 0 0 35 40 1 1 0 0 0 35 56 1 0 0 0 0 35 84 1 0 0 0 0 36 86 1 0 0 0 0 36 87 1 0 0 0 0 36 88 1 0 0 0 0 37 89 1 0 0 0 0 37 90 1 0 0 0 0 37 91 1 0 0 0 0 38 39 1 0 0 0 0 38 52 1 0 0 0 0 38 59 1 6 0 0 0 38 85 1 0 0 0 0 39 58 1 0 0 0 0 39 93 1 0 0 0 0 40 44 1 0 0 0 0 40 94 1 0 0 0 0 40 95 1 0 0 0 0 42 96 1 0 0 0 0 42 97 1 0 0 0 0 42 98 1 0 0 0 0 43 99 1 0 0 0 0 43100 1 0 0 0 0 43101 1 0 0 0 0 44 60 1 0 0 0 0 44 61 1 0 0 0 0 44102 1 0 0 0 0 46103 1 0 0 0 0 46104 1 0 0 0 0 46105 1 0 0 0 0 47 54 1 0 0 0 0 48106 1 0 0 0 0 48107 1 0 0 0 0 48108 1 0 0 0 0 49109 1 0 0 0 0 49110 1 0 0 0 0 49111 1 0 0 0 0 50112 1 0 0 0 0 50113 1 0 0 0 0 50114 1 0 0 0 0 51115 1 0 0 0 0 51116 1 0 0 0 0 51117 1 0 0 0 0 52 65 1 0 0 0 0 52118 1 0 0 0 0 52119 1 0 0 0 0 53 66 2 0 0 0 0 53 67 1 0 0 0 0 54120 1 0 0 0 0 54121 1 0 0 0 0 55122 1 0 0 0 0 55123 1 0 0 0 0 55124 1 0 0 0 0 57125 1 0 0 0 0 57126 1 0 0 0 0 57127 1 0 0 0 0 59128 1 0 0 0 0 59129 1 0 0 0 0 59130 1 0 0 0 0 60132 1 0 0 0 0 60133 1 0 0 0 0 60134 1 0 0 0 0 61135 1 0 0 0 0 61136 1 0 0 0 0 61137 1 0 0 0 0 62 63 1 0 0 0 0 63138 1 0 0 0 0 63139 1 0 0 0 0 64141 1 0 0 0 0 64142 1 0 0 0 0 64143 1 0 0 0 0 65144 1 0 0 0 0 65145 1 0 0 0 0 65146 1 0 0 0 0 66 68 1 0 0 0 0 66147 1 0 0 0 0 67 69 2 0 0 0 0 67148 1 0 0 0 0 68 70 2 0 0 0 0 68149 1 0 0 0 0 69 70 1 0 0 0 0 69150 1 0 0 0 0 71151 1 0 0 0 0 71152 1 0 0 0 0 71153 1 0 0 0 0 M END > 51360491 > 1 > 1900 > 12 > 4 > 9 > AAADcfB//AAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQAAAADzzhmAYyDoPABACIAqHSGAICCAAgIAAIiIHOCIgOZjqMsT+XMCAm1hGYqAecyKCPIAAAAAAAAABAAAAAAAAAAAAAAAAAAA== > (8S,14S,17S,25S,28R,29S)-28-ethyl-8-isobutyl-14-isopropyl-17-[(4-methoxyphenyl)methyl]-7,13,16,20,22,22,24,25,29-nonamethyl-2-[(1S)-1-methylpropyl]-1-oxa-4,7,10,13,16,19,24,27-octazacyclotriacontane-3,6,9,12,15,18,21,23,26,30-decone > (8S,14S,17S,25S,28R,29S)-2-[(2S)-butan-2-yl]-28-ethyl-17-[(4-methoxyphenyl)methyl]-7,13,16,20,22,22,24,25,29-nonamethyl-8-(2-methylpropyl)-14-propan-2-yl-1-oxa-4,7,10,13,16,19,24,27-octazacyclotriacontane-3,6,9,12,15,18,21,23,26,30-decone > (8S,14S,17S,25S,28R,29S)-2-[(2S)-butan-2-yl]-28-ethyl-17-[(4-methoxyphenyl)methyl]-7,13,16,20,22,22,24,25,29-nonamethyl-8-(2-methylpropyl)-14-propan-2-yl-1-oxa-4,7,10,13,16,19,24,27-octazacyclotriacontane-3,6,9,12,15,18,21,23,26,30-decone > (8S,14S,17S,25S,28R,29S)-2-[(2S)-butan-2-yl]-28-ethyl-17-[(4-methoxyphenyl)methyl]-7,13,16,20,22,22,24,25,29-nonamethyl-8-(2-methylpropyl)-14-propan-2-yl-1-oxa-4,7,10,13,16,19,24,27-octazacyclotriacontane-3,6,9,12,15,18,21,23,26,30-decone > (8S,14S,17S,25S,28R,29S)-2-[(2S)-butan-2-yl]-28-ethyl-17-[(4-methoxyphenyl)methyl]-7,13,16,20,22,22,24,25,29-nonamethyl-8-(2-methylpropyl)-14-propan-2-yl-1-oxa-4,7,10,13,16,19,24,27-octazacyclotriacontane-3,6,9,12,15,18,21,23,26,30-decone > (8S,14S,17S,25S,28R,29S)-28-ethyl-8-isobutyl-14-isopropyl-7,13,16,20,22,22,24,25,29-nonamethyl-2-[(1S)-1-methylpropyl]-17-p-anisyl-1-oxa-4,7,10,13,16,19,24,27-octazacyclotriacontane-3,6,9,12,15,18,21,23,26,30-pentaquinone > InChI=1S/C51H82N8O12/c1-18-30(7)42-47(66)53-26-39(60)57(14)37(24-28(3)4)45(64)52-27-40(61)59(16)41(29(5)6)48(67)58(15)38(25-34-20-22-35(70-17)23-21-34)46(65)54-32(9)43(62)51(11,12)50(69)56(13)33(10)44(63)55-36(19-2)31(8)49(68)71-42/h20-23,28-33,36-38,41-42H,18-19,24-27H2,1-17H3,(H,52,64)(H,53,66)(H,54,65)(H,55,63)/t30-,31-,32?,33-,36+,37-,38-,41-,42?/m0/s1 > MKKWMLGEOYGWEO-RZTYLXOMSA-N > 5.3 > 998.60522008 > C51H82N8O12 > 999.2 > CCC1C(C(=O)OC(C(=O)NCC(=O)N(C(C(=O)NCC(=O)N(C(C(=O)N(C(C(=O)NC(C(=O)C(C(=O)N(C(C(=O)N1)C)C)(C)C)C)CC2=CC=C(C=C2)OC)C)C(C)C)C)CC(C)C)C)C(C)CC)C > CC[C@@H]1[C@@H](C(=O)OC(C(=O)NCC(=O)N([C@H](C(=O)NCC(=O)N([C@H](C(=O)N([C@H](C(=O)NC(C(=O)C(C(=O)N([C@H](C(=O)N1)C)C)(C)C)C)CC2=CC=C(C=C2)OC)C)C(C)C)C)CC(C)C)C)[C@@H](C)CC)C > 250 > 998.60522008 > 0 > 71 > 7 > 2 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 21 23 5 24 33 6 25 32 6 26 46 6 28 49 3 30 51 5 35 40 5 38 59 6 39 58 3 53 66 8 53 67 8 66 68 8 67 69 8 68 70 8 69 70 8 $$$$