Mrv1652307012119523D 192200 0 0 0 0 999 V2000 -13.6821 -0.5806 1.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8888 -0.7972 -0.4059 C 0 0 1 0 0 0 0 0 0 0 0 0 -12.6026 -0.6445 -0.9401 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.9890 -1.8735 -1.0633 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.6331 -1.6820 -1.2889 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8177 -2.4299 -0.4793 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.9345 -1.5529 0.4163 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.3689 -1.6633 1.8602 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.5629 -0.9065 2.7023 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6123 -2.0101 0.3788 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0005 -1.6154 -0.8316 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.6919 -0.2792 -0.8115 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2980 -0.1092 -0.8347 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.8554 0.5983 0.3891 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7988 0.6861 1.5564 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.9505 1.3611 1.1617 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6616 1.1333 0.4642 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7396 1.0299 -0.6912 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6872 1.9933 -0.6362 N 0 0 2 0 0 0 0 0 0 0 0 0 -0.8036 1.8068 0.4796 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0684 0.5196 0.4278 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8294 -0.5128 1.0132 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2278 0.5634 1.1442 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1332 -0.3828 0.5754 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9689 1.8713 1.1099 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3045 1.6771 0.8888 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1259 2.0554 1.9095 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0842 3.1111 1.4826 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3821 4.3121 0.9251 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6082 4.9720 1.8936 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9134 3.5384 2.5149 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6688 2.4483 2.9226 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2250 1.8703 1.8190 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6086 1.7923 1.8339 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1819 2.6014 0.7129 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3249 4.0702 1.0891 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2160 4.2078 2.1524 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4571 2.1773 0.3426 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4484 0.8473 -0.0882 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7285 0.5793 -0.5689 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7415 0.1740 -1.9013 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2549 -1.2430 -1.9452 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2349 -2.1620 -2.5363 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9713 -1.8339 -3.8620 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4537 -1.3250 -2.6657 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3487 -0.4806 -1.9535 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6538 -0.8989 -2.1682 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1729 -1.3386 -0.9752 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4417 -0.6877 -0.5324 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4470 0.7959 -0.6914 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2910 1.1079 -2.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6034 -1.0285 0.8305 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8424 -2.3761 0.9646 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0143 -2.7082 2.2924 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7193 -3.2421 0.4220 C 0 0 2 0 0 0 0 0 0 0 0 0 17.1348 -4.5622 0.5266 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4685 -2.8473 -1.0245 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4082 -3.5719 -1.5171 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0747 0.9156 -2.3898 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3014 1.7852 -1.2975 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6082 1.0957 -2.7398 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4722 0.7858 -4.0922 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2682 0.0070 1.1503 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2688 -1.3269 0.7413 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9651 0.3399 1.7760 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9580 -0.2219 3.0606 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7315 1.5304 3.6777 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3414 0.6108 4.4804 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8071 0.9139 2.6388 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8096 0.1551 3.2473 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3848 2.7692 0.2032 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0717 3.0347 0.5804 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1028 3.5768 1.9936 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5139 1.2079 -1.9599 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5610 2.6067 -2.1949 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8586 0.6332 -2.0456 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.9883 -0.2084 -3.1915 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9187 -2.0273 -1.9553 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.7587 -0.9651 -2.2841 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8229 -3.1395 -1.4057 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.0979 -4.0739 -0.6991 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.6738 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-14.4603 0.0646 -0.8021 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1327 -2.5525 -0.2104 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3333 -3.1033 0.2072 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9478 -0.5169 0.0799 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3124 -2.7201 2.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3980 -1.2669 1.9854 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1571 -1.4731 3.4344 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0881 -2.2411 -0.8894 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8586 -1.1413 -0.8841 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2808 1.2628 2.3778 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9886 -0.3023 1.9897 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8326 2.3456 1.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3647 1.6624 1.3957 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2897 0.0013 -0.7426 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9919 2.9694 -0.7912 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4225 1.8251 1.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 0.2565 -0.6449 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1854 -1.2699 1.1344 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1583 0.2339 2.2082 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9539 -0.2968 -0.4054 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8890 2.3079 2.1549 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4505 2.5054 2.7023 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6943 2.6911 0.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7712 4.1120 0.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1482 5.0527 0.6164 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8574 5.4496 1.4414 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4007 2.8036 3.6746 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0547 2.2136 2.7734 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5200 2.5051 -0.1611 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8111 4.6381 0.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3531 4.5508 1.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8116 3.4123 2.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6583 0.6672 -0.8247 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7291 0.1621 -2.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4989 -1.5735 -0.9212 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5637 -3.2294 -2.4486 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3207 -2.0782 -1.9099 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9936 -2.6642 -4.3842 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0786 -0.5732 -0.8669 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4322 -1.2430 -0.1403 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3441 -1.0916 -1.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4433 1.1619 -0.3555 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6934 1.3027 -0.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5943 2.0272 -2.2329 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7670 -2.6174 0.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6393 -3.6047 2.4924 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8025 -3.0431 1.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5214 -5.1422 0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3982 -2.9908 -1.6092 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3948 -3.5901 -2.5063 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7433 1.2711 -3.2001 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7514 2.6156 -1.4065 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3441 2.1451 -2.5769 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4880 0.8232 -4.3153 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1360 0.1967 1.8204 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6908 -1.8601 1.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1728 -0.2031 1.1999 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3881 -1.0432 3.1047 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0961 2.1733 4.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5529 0.9379 5.3768 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4093 0.2598 2.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6795 0.4095 4.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3312 3.8147 -0.0778 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0329 2.7284 2.7004 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0283 4.1380 2.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7440 4.2860 2.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8536 0.8135 -2.7791 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0921 3.0780 -1.5105 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6056 1.4513 -2.2396 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9572 -0.3569 -3.2944 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3475 -2.4143 -2.8242 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2184 -0.1821 -2.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3214 -3.6097 -2.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6446 -4.4910 0.0309 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1094 -3.3920 -2.6494 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8606 -1.4454 -3.7916 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8084 -2.5038 -2.7176 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4010 -4.4751 -1.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1621 -2.8214 0.1892 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3492 -2.6046 -1.4646 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6364 -2.3175 1.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3351 0.1659 1.6077 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.1952 2.4238 -0.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6095 2.5581 -0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1089 3.1634 1.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.4451 0.7972 -1.9403 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1060 -0.6839 -3.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.2684 -1.8940 -2.2249 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.3972 -1.8054 -1.6021 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.9162 -1.6724 0.7266 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.8152 -3.5452 -1.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 14 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 28 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 35 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 42 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 49 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 55 1 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 57 58 1 0 0 0 0 46 59 1 0 0 0 0 59 60 1 0 0 0 0 59 61 1 0 0 0 0 61 62 1 0 0 0 0 39 63 1 0 0 0 0 63 64 1 0 0 0 0 63 65 1 0 0 0 0 65 66 1 0 0 0 0 32 67 1 0 0 0 0 67 68 1 0 0 0 0 67 69 1 0 0 0 0 69 70 1 0 0 0 0 25 71 1 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 18 74 1 0 0 0 0 74 75 1 0 0 0 0 74 76 1 0 0 0 0 76 77 1 0 0 0 0 11 78 1 0 0 0 0 78 79 1 0 0 0 0 78 80 1 0 0 0 0 80 81 1 0 0 0 0 4 82 1 0 0 0 0 82 83 1 0 0 0 0 82 84 1 0 0 0 0 84 85 1 0 0 0 0 84 86 1 0 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 88 89 1 0 0 0 0 89 90 2 0 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 90 93 1 0 0 0 0 93 94 1 0 0 0 0 93 95 1 0 0 0 0 95 96 1 0 0 0 0 95 97 1 0 0 0 0 97 98 1 0 0 0 0 86 2 1 0 0 0 0 97 88 1 0 0 0 0 80 6 1 0 0 0 0 76 13 1 0 0 0 0 72 20 1 0 0 0 0 69 27 1 0 0 0 0 65 34 1 0 0 0 0 61 41 1 0 0 0 0 57 48 1 0 0 0 0 1 99 1 0 0 0 0 1100 1 0 0 0 0 1101 1 0 0 0 0 2102 1 6 0 0 0 4103 1 1 0 0 0 6104 1 1 0 0 0 7105 1 6 0 0 0 8106 1 0 0 0 0 8107 1 0 0 0 0 9108 1 0 0 0 0 11109 1 6 0 0 0 13110 1 6 0 0 0 15111 1 0 0 0 0 15112 1 0 0 0 0 16113 1 0 0 0 0 17114 1 0 0 0 0 18115 1 6 0 0 0 19116 1 0 0 0 0 20117 1 1 0 0 0 21118 1 6 0 0 0 22119 1 0 0 0 0 23120 1 1 0 0 0 24121 1 0 0 0 0 25122 1 1 0 0 0 27123 1 1 0 0 0 28124 1 6 0 0 0 29125 1 0 0 0 0 29126 1 0 0 0 0 30127 1 0 0 0 0 32128 1 1 0 0 0 34129 1 1 0 0 0 35130 1 6 0 0 0 36131 1 0 0 0 0 36132 1 0 0 0 0 37133 1 0 0 0 0 39134 1 6 0 0 0 41135 1 6 0 0 0 42136 1 1 0 0 0 43137 1 0 0 0 0 43138 1 0 0 0 0 44139 1 0 0 0 0 46140 1 1 0 0 0 48141 1 1 0 0 0 49142 1 6 0 0 0 50143 1 0 0 0 0 50144 1 0 0 0 0 51145 1 0 0 0 0 53146 1 6 0 0 0 54147 1 0 0 0 0 55148 1 1 0 0 0 56149 1 0 0 0 0 57150 1 6 0 0 0 58151 1 0 0 0 0 59152 1 6 0 0 0 60153 1 0 0 0 0 61154 1 6 0 0 0 62155 1 0 0 0 0 63156 1 1 0 0 0 64157 1 0 0 0 0 65158 1 6 0 0 0 66159 1 0 0 0 0 67160 1 1 0 0 0 68161 1 0 0 0 0 69162 1 6 0 0 0 70163 1 0 0 0 0 72164 1 6 0 0 0 73165 1 0 0 0 0 73166 1 0 0 0 0 73167 1 0 0 0 0 74168 1 6 0 0 0 75169 1 0 0 0 0 76170 1 6 0 0 0 77171 1 0 0 0 0 78172 1 6 0 0 0 79173 1 0 0 0 0 80174 1 6 0 0 0 81175 1 0 0 0 0 82176 1 6 0 0 0 83177 1 0 0 0 0 84178 1 6 0 0 0 85179 1 0 0 0 0 86180 1 1 0 0 0 87181 1 0 0 0 0 88182 1 1 0 0 0 89183 1 0 0 0 0 91184 1 0 0 0 0 91185 1 0 0 0 0 92186 1 0 0 0 0 93187 1 6 0 0 0 94188 1 0 0 0 0 95189 1 6 0 0 0 96190 1 0 0 0 0 97191 1 1 0 0 0 98192 1 0 0 0 0 M END > NP0007595 > NP-MRD > [H]OC([H])([H])C1=C([H])[C@]([H])(N([H])[C@]2([H])[C@]([H])(O[C@]([H])(O[C@@]3([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[C@]4([H])C(=C([H])[C@]([H])(N([H])[C@]5([H])[C@]([H])(O[C@]([H])(O[C@@]6([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[C@@]7([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[C@@]8([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[C@@]9([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])O[C@]9([H])C([H])([H])O[H])O[C@]8([H])C([H])([H])O[H])O[C@]7([H])C([H])([H])O[H])O[C@]6([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]5([H])O[H])C([H])([H])[H])[C@]([H])(O[H])[C@@]4([H])O[H])C([H])([H])O[H])O[C@]3([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]2([H])O[H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H] > InChI=1S/C56H94N2O40/c1-12-23(57-16-3-14(5-59)25(66)30(71)26(16)67)28(69)38(79)51(86-12)94-46-19(8-62)89-53(40(81)33(46)74)93-44-15(6-60)4-17(27(68)31(44)72)58-24-13(2)87-52(39(80)29(24)70)95-47-20(9-63)90-55(41(82)34(47)75)97-49-22(11-65)92-56(43(84)36(49)77)98-48-21(10-64)91-54(42(83)35(48)76)96-45-18(7-61)88-50(85)37(78)32(45)73/h3-4,12-13,16-85H,5-11H2,1-2H3/t12-,13-,16+,17+,18-,19-,20-,21-,22-,23-,24-,25-,26+,27+,28+,29+,30+,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54+,55-,56+/m1/s1 > CEVDATOXBXMRCL-XJDNPOKKSA-N > C56H94N2O40 > 1435.342 > 1434.538285835 > 42 > 192 > 137.60265434834787 > 0 > 29 > 0 > 0 > (2R,3R,4R,5S,6R)-5-{[(2S,3R,4R,5S,6R)-5-{[(2S,3R,4R,5S,6R)-5-{[(2R,3R,4R,5S,6R)-5-{[(2R,3R,4S,5S,6R)-5-{[(1S,4R,5R,6S)-4-{[(2S,3R,4R,5S,6R)-5-{[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-(hydroxymethyl)oxane-2,3,4-triol > -2.57 > -15.838249786666667 > -1.18 > 1 > 9 > 2 > 11.835600307902546 > 11.184610831450556 > 7.507977861993216 > 690.2600000000003 > 304.108 > 23 > 0 > 9.44e+01 g/l > (2R,3R,4R,5S,6R)-5-{[(2S,3R,4R,5S,6R)-5-{[(2S,3R,4R,5S,6R)-5-{[(2R,3R,4R,5S,6R)-5-{[(2R,3R,4S,5S,6R)-5-{[(1S,4R,5R,6S)-4-{[(2S,3R,4R,5S,6R)-5-{[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-(hydroxymethyl)oxane-2,3,4-triol > 0 > NP0007595 > Acarviostatin II03 $$$$