Mrv1652307042107563D 182187 0 0 0 0 999 V2000 -9.2860 4.2536 6.3578 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6402 3.8407 4.9788 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7213 3.7526 4.0384 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3441 4.0675 4.3686 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3640 4.0004 3.4722 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9578 4.2917 3.6928 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2317 3.6010 2.6998 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0027 4.3042 2.4343 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2667 5.5479 1.9193 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3028 3.4641 1.4177 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0000 4.0202 0.9111 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4877 3.1537 -0.0756 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7402 3.5736 -0.5731 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7242 2.4638 -0.4397 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4769 1.3653 -1.4600 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5933 0.5473 -1.4907 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2748 -0.7169 -1.0525 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1935 1.9112 -2.8163 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9340 1.2985 -3.7903 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2325 0.7468 -4.8317 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3823 -0.7480 -4.9886 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6102 -1.1059 -5.7861 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2790 -1.1394 -7.1411 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6541 -2.3683 -7.6933 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5989 0.0512 -5.5777 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8007 -0.3007 -6.2025 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8297 -0.3807 -5.2982 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4622 -1.7533 -5.1978 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3844 -1.7937 -3.9785 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5999 -2.3120 -2.9453 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1195 -3.4847 -2.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7768 -0.3951 -3.5708 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9627 0.0581 -2.5119 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8356 0.5926 -4.6859 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8656 1.9879 -4.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7947 0.5422 -5.5785 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0004 1.2380 -6.2584 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6936 2.5201 -5.8757 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6356 1.3901 -5.9925 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4224 3.4150 -2.7982 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8551 3.8108 -2.7293 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5873 4.0079 -1.8933 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1487 3.0560 0.2769 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1450 3.7039 -0.0673 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7754 1.8808 -0.4156 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4999 1.3443 -1.5436 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7586 0.0713 -1.9002 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3629 -1.0966 -1.8302 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6472 -2.3478 -2.1695 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2424 -3.5224 -2.0901 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6836 -3.4684 -1.6433 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6887 -4.8309 -2.3358 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8723 -5.6282 -1.1812 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5609 -6.7745 -1.4671 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2209 -4.9273 -2.6643 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8314 -4.1747 -3.9061 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3424 -4.6538 -1.4988 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1383 -4.7486 -1.7566 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6993 -4.9664 -0.3464 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4268 -3.8322 -0.0132 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4468 -5.0718 0.4575 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5251 -5.8639 1.6536 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3615 -6.8055 1.9548 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1796 -7.5370 3.1953 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9704 -8.5002 3.6337 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7224 -9.1887 4.8987 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4907 -10.1449 5.3491 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2653 -10.8459 6.6038 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2994 -10.5652 7.3411 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1364 -11.8405 6.9864 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5076 -5.5901 -0.4508 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3499 4.4096 3.7676 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9708 4.2036 3.7486 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0657 5.0536 4.3634 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5591 6.0484 4.9524 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3997 4.8718 4.3724 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9994 5.9699 5.1644 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1095 5.8082 6.5293 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6631 6.8276 7.2941 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0997 7.9902 6.7005 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9976 8.1645 5.3465 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4413 7.1368 4.5966 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9745 3.3284 4.6820 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9563 2.1141 4.0548 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3842 3.8302 5.0062 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2141 4.9791 5.9824 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1197 2.6722 5.6002 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8584 5.2805 6.3783 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6045 3.5330 6.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2021 4.3162 6.9914 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6999 3.6085 4.7632 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0383 3.4468 3.0494 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0704 4.3666 5.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7113 3.6896 2.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7244 5.3657 3.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6626 6.1841 2.3732 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0694 2.4537 1.9434 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2244 4.2028 1.6403 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1909 5.0013 0.3858 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0728 4.4617 -0.0154 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5362 1.9751 0.5643 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7839 2.7664 -0.3964 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6172 0.7475 -1.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1267 -1.4071 -1.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4459 -1.1592 -1.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9044 -0.7145 0.0075 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0911 1.8098 -3.0201 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1372 0.9289 -4.7151 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3093 -1.2851 -4.0386 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4988 -1.0946 -5.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0785 -2.0508 -5.4871 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1221 -3.1734 -7.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5017 -2.3907 -8.7862 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7648 -2.4937 -7.5431 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8041 0.1939 -4.5083 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4428 -0.1519 -4.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6524 -2.5013 -5.1013 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0643 -2.0221 -6.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2731 -2.3953 -4.1986 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1237 -3.2565 -2.0278 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4244 -3.8382 -1.6204 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2473 -4.2588 -3.2169 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8082 -0.4671 -3.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0406 -0.6032 -1.7919 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7986 0.5255 -5.2521 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2113 1.9937 -3.1379 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8876 2.2138 -3.6961 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5412 2.7649 -4.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1129 1.1128 -7.3623 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5184 2.6966 -6.6215 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0294 3.4055 -5.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2036 2.4346 -4.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0514 3.7521 -3.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5253 2.9226 -2.6525 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0822 4.5773 -1.9368 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2093 4.3241 -3.6733 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9085 1.3290 -0.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4735 2.0441 -2.4195 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5189 1.0520 -1.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7477 0.1408 -2.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3932 -1.0879 -1.5234 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6370 -2.3027 -2.4956 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1348 -4.4494 -1.5554 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7547 -2.8814 -0.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2019 -2.8466 -2.4181 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2134 -5.3630 -3.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6814 -7.3464 -0.5214 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9006 -7.4391 -2.1009 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5222 -6.6526 -1.9751 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0761 -6.0261 -2.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0274 -3.4638 -3.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4084 -4.8655 -4.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6863 -3.6899 -4.4185 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4761 -3.6137 -1.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3992 -5.6466 -2.3529 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5647 -3.8178 -2.1948 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3467 -5.8637 -0.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0075 -3.4579 0.7999 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1126 -4.0281 0.7313 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3652 -5.6684 2.3423 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1811 -7.0103 1.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6629 -7.3032 3.8514 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8170 -8.7811 3.0332 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1429 -8.8887 5.4916 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3394 -10.4087 4.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6483 -11.7260 7.8502 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5585 5.3714 4.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 3.8727 4.7773 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8017 4.8802 3.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7835 4.9196 7.0496 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7669 6.7485 8.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5407 8.8023 7.2884 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3490 9.0871 4.9157 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3581 7.2741 3.5337 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3824 3.3080 5.6138 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2825 1.5014 4.4648 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1572 5.1241 6.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7888 4.8432 6.9178 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5078 5.9120 5.4411 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8637 2.2052 4.9097 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4340 1.8075 5.8581 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5812 2.9413 6.5928 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 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 6 0 0 0 8 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 16 17 1 0 0 0 0 15 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 22 23 1 0 0 0 0 23 24 1 0 0 0 0 22 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 30 31 1 0 0 0 0 29 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 25 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 18 40 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 10 43 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 52 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 58 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 62 63 2 0 0 0 0 63 64 1 0 0 0 0 64 65 2 0 0 0 0 65 66 1 0 0 0 0 66 67 2 0 0 0 0 67 68 1 0 0 0 0 68 69 2 0 0 0 0 68 70 1 0 0 0 0 61 71 1 0 0 0 0 8 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 74 75 2 0 0 0 0 74 76 1 0 0 0 0 76 77 1 0 0 0 0 77 78 2 0 0 0 0 78 79 1 0 0 0 0 79 80 2 0 0 0 0 80 81 1 0 0 0 0 81 82 2 0 0 0 0 72 83 1 0 0 0 0 83 84 1 0 0 0 0 83 85 1 0 0 0 0 85 86 1 1 0 0 0 85 87 1 0 0 0 0 85 6 1 0 0 0 0 42 13 1 0 0 0 0 71 57 1 0 0 0 0 82 77 1 0 0 0 0 39 20 1 0 0 0 0 36 27 1 0 0 0 0 1 88 1 0 0 0 0 1 89 1 0 0 0 0 1 90 1 0 0 0 0 2 91 1 0 0 0 0 3 92 1 0 0 0 0 4 93 1 0 0 0 0 5 94 1 0 0 0 0 6 95 1 6 0 0 0 9 96 1 0 0 0 0 10 97 1 1 0 0 0 11 98 1 0 0 0 0 11 99 1 0 0 0 0 13100 1 1 0 0 0 14101 1 0 0 0 0 14102 1 0 0 0 0 15103 1 1 0 0 0 17104 1 0 0 0 0 17105 1 0 0 0 0 17106 1 0 0 0 0 18107 1 6 0 0 0 20108 1 1 0 0 0 21109 1 0 0 0 0 21110 1 0 0 0 0 22111 1 1 0 0 0 24112 1 0 0 0 0 24113 1 0 0 0 0 24114 1 0 0 0 0 25115 1 1 0 0 0 27116 1 1 0 0 0 28117 1 0 0 0 0 28118 1 0 0 0 0 29119 1 6 0 0 0 31120 1 0 0 0 0 31121 1 0 0 0 0 31122 1 0 0 0 0 32123 1 1 0 0 0 33124 1 0 0 0 0 34125 1 6 0 0 0 35126 1 0 0 0 0 35127 1 0 0 0 0 35128 1 0 0 0 0 37129 1 6 0 0 0 38130 1 0 0 0 0 38131 1 0 0 0 0 38132 1 0 0 0 0 40133 1 6 0 0 0 41134 1 0 0 0 0 41135 1 0 0 0 0 41136 1 0 0 0 0 45137 1 0 0 0 0 46138 1 0 0 0 0 46139 1 0 0 0 0 47140 1 0 0 0 0 48141 1 0 0 0 0 49142 1 0 0 0 0 51143 1 0 0 0 0 51144 1 0 0 0 0 51145 1 0 0 0 0 52146 1 6 0 0 0 54147 1 0 0 0 0 54148 1 0 0 0 0 54149 1 0 0 0 0 55150 1 6 0 0 0 56151 1 0 0 0 0 56152 1 0 0 0 0 56153 1 0 0 0 0 57154 1 1 0 0 0 58155 1 0 0 0 0 58156 1 0 0 0 0 59157 1 6 0 0 0 60158 1 0 0 0 0 61159 1 1 0 0 0 62160 1 0 0 0 0 63161 1 0 0 0 0 64162 1 0 0 0 0 65163 1 0 0 0 0 66164 1 0 0 0 0 67165 1 0 0 0 0 70166 1 0 0 0 0 72167 1 1 0 0 0 76168 1 0 0 0 0 76169 1 0 0 0 0 78170 1 0 0 0 0 79171 1 0 0 0 0 80172 1 0 0 0 0 81173 1 0 0 0 0 82174 1 0 0 0 0 83175 1 1 0 0 0 84176 1 0 0 0 0 86177 1 0 0 0 0 86178 1 0 0 0 0 86179 1 0 0 0 0 87180 1 0 0 0 0 87181 1 0 0 0 0 87182 1 0 0 0 0 M END > NP0020977 > NP-MRD > [H]OC(=O)C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(/[H])[C@]1([H])O[C@@]([H])(C([H])([H])[C@@]1([H])O[H])[C@]([H])(C([H])([H])[H])[C@@]([H])(OC([H])([H])[H])C(=C(/[H])\C(\[H])=C(/[H])C([H])([H])N([H])C(=O)[C@@]([H])(C([H])([H])O[C@]1([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[C@@]2([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[C@]3([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(OC([H])([H])[H])C3([H])[H])[C@]([H])(OC([H])([H])[H])C2([H])[H])[C@@]([H])(OC([H])([H])[H])C1([H])[H])[C@@]1(O[H])O[C@@]([H])(C(\[H])=C(/[H])\C(\[H])=C(\[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]1([H])OC(=O)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])\C([H])([H])[H] > InChI=1S/C65H95NO21/c1-13-14-18-29-51-64(7,8)61(72)62(84-53(70)32-43-26-19-17-20-27-43)65(74,87-51)44(63(73)66-31-24-23-25-38(2)58(78-12)39(3)47-33-45(67)46(83-47)28-21-15-16-22-30-52(68)69)37-79-54-35-49(76-10)59(41(5)81-54)86-56-36-50(77-11)60(42(6)82-56)85-55-34-48(75-9)57(71)40(4)80-55/h13-30,39-42,44-51,54-62,67,71-72,74H,31-37H2,1-12H3,(H,66,73)(H,68,69)/b14-13-,16-15+,24-23+,28-21+,29-18+,30-22+,38-25+/t39-,40-,41-,42-,44+,45+,46-,47-,48-,49-,50+,51-,54+,55-,56+,57+,58-,59+,60-,61-,62+,65+/m0/s1 > UDVVGDCMWCVRCO-HQDNJGEPSA-N > C65H95NO21 > 1226.461 > 1225.639659083 > 20 > 182 > 134.84808439774287 > 0 > 6 > 0 > 0 > (2E,4E,6E)-7-[(2S,3R,5S)-5-[(2S,3R,4E,6E)-8-[(2S)-2-[(2R,3R,4R,6S)-2,4-dihydroxy-5,5-dimethyl-6-[(1E,3Z)-penta-1,3-dien-1-yl]-3-[(2-phenylacetyl)oxy]oxan-2-yl]-3-{[(2R,4S,5R,6S)-5-{[(2R,4R,5S,6S)-5-{[(2S,4S,5R,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}propanamido]-3-methoxy-4-methylocta-4,6-dien-2-yl]-3-hydroxyoxolan-2-yl]hepta-2,4,6-trienoic acid > 5.56 > 6.82021209966667 > -5.33 > 1 > 6 > -1 > 10.522086309961047 > 4.227696409201729 > -3.026914726408325 > 284.38 > 323.88450000000006 > 29 > 0 > 5.78e-03 g/l > (2E,4E,6E)-7-[(2S,3R,5S)-5-[(2S,3R,4E,6E)-8-[(2S)-2-[(2R,3R,4R,6S)-2,4-dihydroxy-5,5-dimethyl-6-[(1E,3Z)-penta-1,3-dien-1-yl]-3-[(2-phenylacetyl)oxy]oxan-2-yl]-3-{[(2R,4S,5R,6S)-5-{[(2R,4R,5S,6S)-5-{[(2S,4S,5R,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}propanamido]-3-methoxy-4-methylocta-4,6-dien-2-yl]-3-hydroxyoxolan-2-yl]hepta-2,4,6-trienoic acid > 0 > NP0020977 > Ganefromycin α $$$$