Mrv1652307191923502D 210217 0 0 1 0 999 V2000 -26.5350 -11.0461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -25.8043 -11.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -25.0558 -11.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -24.3164 -11.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -23.5923 -11.0498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -22.8752 -11.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -22.1593 -11.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.4449 -11.4621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.7300 -11.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.0161 -11.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.3013 -11.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.5875 -11.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.8728 -11.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.1589 -11.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4443 -11.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7305 -11.4681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0164 -11.0537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3036 -11.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5936 -11.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8984 -11.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1787 -11.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4755 -11.5315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7630 -11.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0045 -10.3004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0318 -11.5195 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.3431 -11.0433 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.6239 -11.4657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8861 -11.0766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1585 -11.4754 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.4437 -11.0637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7299 -11.4768 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.6836 -10.6404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2031 -9.9834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7307 -12.3016 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0113 -12.7298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3022 -12.2777 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3160 -11.4530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6087 -11.0287 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2499 -10.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9398 -10.1212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8875 -11.4291 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2937 -10.9144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9843 -10.0780 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4867 -9.7559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5004 -8.9311 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0825 -8.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7453 -7.3650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2216 -8.5308 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0249 -7.7242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9289 -8.9550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5775 -8.4936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6637 -7.7299 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9630 -7.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9892 -6.4705 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3091 -5.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1570 -5.1444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7161 -6.0811 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7383 -5.2349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4171 -6.5158 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.1682 -6.1193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1703 -5.3019 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4543 -4.5276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9257 -3.8944 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2099 -3.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1131 -4.0355 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5845 -3.4023 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8686 -2.6280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6813 -2.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3401 -1.9948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8290 -4.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3576 -5.4431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0164 -4.9510 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7323 -5.7255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4877 -4.3178 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6752 -4.4590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7719 -3.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2433 -2.9102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9822 -5.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2621 -6.2229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5139 -4.8168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3909 -7.3403 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.2166 -7.5148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9151 -9.7796 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7856 -9.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5551 -9.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9282 -8.4955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3236 -8.8359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8737 -12.2538 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1373 -12.6819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4454 -12.2299 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9861 -11.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7169 -10.8273 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5746 -10.4477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9070 -10.6705 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4141 -9.9538 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8683 -9.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8360 -9.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1432 -8.7544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3665 -11.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6356 -12.0731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4194 -10.9645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7604 -10.1918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9054 -11.6573 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6459 -12.4406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2495 -13.1631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7508 -11.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3343 -12.2257 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6294 -12.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4440 -13.1256 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5593 -13.9568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9635 -12.4850 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7255 -12.8808 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3038 -13.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3582 -14.3619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1528 -13.7334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6684 -11.7147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8540 -11.5850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4045 -11.2316 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2199 -11.4382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1545 -10.4223 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9419 -10.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8026 -10.0538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -10.0857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7835 -9.4039 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2428 -8.7811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5119 -8.0013 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8171 -7.5277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3217 -7.8445 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2758 -6.9857 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9834 -6.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2472 -5.7908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1853 -5.3363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8623 -8.4674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5933 -9.2471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6960 -8.1155 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3954 -8.5929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1746 -7.3942 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8804 -6.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9697 -7.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4945 -6.4520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9296 -9.6049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9600 -10.4501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1991 -9.1401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8015 -12.9720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8325 -13.6999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4764 -13.7876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2749 -13.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5636 -13.9081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9248 -13.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5811 -12.6781 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6483 -13.5560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4453 -12.7134 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.5248 -13.5551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1594 -12.3002 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.8454 -12.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2406 -10.1568 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.8059 -9.5414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5670 -9.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6526 -8.8475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4058 -8.5116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0735 -8.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8267 -8.6599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4944 -9.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2476 -8.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9152 -9.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6686 -8.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3360 -9.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0895 -9.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7569 -9.5894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5103 -9.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.1779 -9.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.9312 -9.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0505 -10.6188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1673 -10.6505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9053 -11.4999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0134 -11.8943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0288 -11.8871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1624 -10.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9784 -12.1045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0605 -10.5513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5544 -8.3934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1145 -8.4228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4472 -9.7339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0130 -7.7459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1803 -5.7425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7528 -5.6924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4315 -6.7314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6103 -3.0195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3218 -3.9002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8338 -4.8795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4359 -5.4812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0486 -7.9981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0459 -9.9446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0427 -13.2928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7833 -10.1814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0246 -10.5074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2762 -10.1146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3543 -12.0412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1570 -13.6427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8654 -12.1398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2949 -12.0659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6055 -9.7008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5723 -7.1994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8541 -6.9973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6427 -8.9704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4327 -6.7374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4048 -13.3133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1457 -13.2923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9908 -12.0665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7832 -10.9225 0.0000 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 9 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 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 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 25 1 6 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 29 28 1 6 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 6 0 0 0 32 33 1 0 0 0 0 31 34 1 0 0 0 0 34 35 1 1 0 0 0 36 35 1 6 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 6 0 0 0 39 40 1 0 0 0 0 38 41 1 0 0 0 0 41 42 1 6 0 0 0 43 42 1 1 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 1 0 0 0 46 47 1 0 0 0 0 45 48 1 0 0 0 0 48 49 1 1 0 0 0 48 50 1 0 0 0 0 50 51 1 6 0 0 0 52 51 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 1 0 0 0 55 56 1 0 0 0 0 54 57 1 0 0 0 0 57 58 1 1 0 0 0 57 59 1 0 0 0 0 59 60 1 1 0 0 0 61 60 1 6 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 6 0 0 0 63 65 1 0 0 0 0 65 66 1 1 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 69 2 0 0 0 0 65 70 1 0 0 0 0 70 71 1 0 0 0 0 61 71 1 0 0 0 0 70 72 1 0 0 0 0 72 73 1 1 0 0 0 72 74 1 0 0 0 0 74 75 1 1 0 0 0 74 76 1 0 0 0 0 76 77 1 0 0 0 0 61 78 1 1 0 0 0 78 79 1 0 0 0 0 78 80 2 0 0 0 0 59 81 1 0 0 0 0 52 81 1 0 0 0 0 81 82 1 6 0 0 0 50 83 1 0 0 0 0 43 83 1 0 0 0 0 83 84 1 6 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 85 87 2 0 0 0 0 41 88 1 0 0 0 0 88 89 1 6 0 0 0 90 89 1 6 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 92 93 1 6 0 0 0 92 94 1 0 0 0 0 94 95 1 1 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 96 98 2 0 0 0 0 94 99 1 0 0 0 0 99100 1 0 0 0 0 90100 1 0 0 0 0 99101 1 0 0 0 0 101102 1 6 0 0 0 101103 1 0 0 0 0 103104 1 0 0 0 0 104105 1 0 0 0 0 103106 1 1 0 0 0 107106 1 1 0 0 0 107108 1 0 0 0 0 108109 1 0 0 0 0 109110 1 1 0 0 0 109111 1 0 0 0 0 111112 1 6 0 0 0 112113 1 0 0 0 0 113114 1 0 0 0 0 113115 2 0 0 0 0 111116 1 0 0 0 0 116117 1 0 0 0 0 107117 1 0 0 0 0 116118 1 0 0 0 0 118119 1 1 0 0 0 118120 1 0 0 0 0 120121 1 0 0 0 0 121122 1 0 0 0 0 120123 1 6 0 0 0 124123 1 6 0 0 0 124125 1 0 0 0 0 125126 1 0 0 0 0 126127 1 6 0 0 0 126128 1 0 0 0 0 128129 1 1 0 0 0 129130 1 0 0 0 0 130131 1 0 0 0 0 130132 2 0 0 0 0 128133 1 0 0 0 0 133134 1 0 0 0 0 124134 1 0 0 0 0 133135 1 0 0 0 0 135136 1 1 0 0 0 135137 1 0 0 0 0 137138 1 6 0 0 0 137139 1 0 0 0 0 139140 1 0 0 0 0 124141 1 1 0 0 0 141142 1 0 0 0 0 141143 2 0 0 0 0 107144 1 6 0 0 0 144145 1 0 0 0 0 144146 2 0 0 0 0 90147 1 1 0 0 0 147148 1 0 0 0 0 147149 2 0 0 0 0 88150 1 0 0 0 0 36150 1 0 0 0 0 150151 1 1 0 0 0 34152 1 0 0 0 0 152153 1 6 0 0 0 152154 1 0 0 0 0 29154 1 0 0 0 0 154155 1 1 0 0 0 26156 1 0 0 0 0 156157 1 6 0 0 0 156158 1 0 0 0 0 158159 2 0 0 0 0 159160 1 4 0 0 0 160161 1 0 0 0 0 161162 1 0 0 0 0 162163 1 0 0 0 0 163164 1 0 0 0 0 164165 1 0 0 0 0 165166 1 0 0 0 0 166167 1 0 0 0 0 167168 1 0 0 0 0 168169 1 0 0 0 0 169170 1 0 0 0 0 170171 1 0 0 0 0 171172 1 0 0 0 0 26173 1 1 0 0 0 29174 1 1 0 0 0 31175 1 1 0 0 0 34176 1 6 0 0 0 36177 1 1 0 0 0 38178 1 1 0 0 0 41179 1 1 0 0 0 43180 1 6 0 0 0 45181 1 6 0 0 0 48182 1 6 0 0 0 50183 1 6 0 0 0 52184 1 6 0 0 0 54185 1 6 0 0 0 57186 1 6 0 0 0 59187 1 6 0 0 0 63188 1 1 0 0 0 65189 1 6 0 0 0 72190 1 6 0 0 0 74191 1 6 0 0 0 81192 1 1 0 0 0 83193 1 1 0 0 0 88194 1 1 0 0 0 92195 1 1 0 0 0 94196 1 6 0 0 0 101197 1 1 0 0 0 103198 1 1 0 0 0 109199 1 6 0 0 0 111200 1 1 0 0 0 118201 1 6 0 0 0 120202 1 1 0 0 0 126203 1 1 0 0 0 128204 1 6 0 0 0 135205 1 6 0 0 0 137206 1 1 0 0 0 150207 1 6 0 0 0 152208 1 1 0 0 0 154209 1 6 0 0 0 156210 1 1 0 0 0 M END > FDB028625 > foodb > [H][C@@](O)(CO)[C@@]([H])(O)C1O[C@@](C[C@]([H])(O)[C@@]1([H])NC(C)=O)(O[C@]([H])(CO)[C@@]([H])(O)C1O[C@@](C[C@]([H])(O)[C@@]1([H])NC(C)=O)(O[C@]([H])(CO)[C@@]([H])(O)C1O[C@@](C[C@]([H])(O)[C@@]1([H])NC(C)=O)(O[C@]1([H])[C@@]([H])(O)[C@]([H])(O[C@]2([H])[C@@]([H])(CO)O[C@@]([H])(OC[C@]([H])(NC(=O)CCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(O)C=CCCCCCCCCCCCCC)[C@]([H])(O)[C@@]2([H])O)O[C@]([H])(CO)[C@]1([H])O[C@]1([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@@]3(C[C@]([H])(O)[C@@]([H])(NC(C)=O)C(O3)[C@]([H])(O)[C@]([H])(O)CO)C(O)=O)[C@@]2([H])O)[C@@]1([H])CC(C)=O)C(O)=O)C(O)=O)C(O)=O > InChI=1S/C112H193N5O55/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-30-32-34-36-38-40-42-77(138)117-63(64(131)41-39-37-35-33-31-29-21-19-17-15-13-11-9-2)56-157-102-89(146)88(145)93(75(54-124)160-102)163-104-91(148)100(94(76(55-125)161-104)164-101-62(43-57(3)126)92(84(141)71(50-120)158-101)162-103-90(147)99(85(142)72(51-121)159-103)171-111(107(153)154)46-67(134)79(114-59(5)128)96(168-111)83(140)70(137)49-119)172-112(108(155)156)47-68(135)81(116-61(7)130)98(170-112)87(144)74(53-123)166-110(106(151)152)45-66(133)80(115-60(6)129)97(169-110)86(143)73(52-122)165-109(105(149)150)44-65(132)78(113-58(4)127)95(167-109)82(139)69(136)48-118/h39,41,62-76,78-104,118-125,131-137,139-148H,8-38,40,42-56H2,1-7H3,(H,113,127)(H,114,128)(H,115,129)(H,116,130)(H,117,138)(H,149,150)(H,151,152)(H,153,154)(H,155,156)/t62-,63+,64-,65+,66+,67+,68+,69-,70-,71-,72-,73-,74-,75-,76-,78-,79-,80-,81-,82-,83-,84+,85+,86-,87-,88-,89-,90-,91-,92-,93-,94+,95?,96?,97?,98?,99+,100-,101+,102-,103+,104+,109-,110-,111+,112+/m1/s1 > HQUFSSGOJGBUTC-UOYKXGMQSA-N > C112H193N5O55 > 2489.7313 > 2488.245905411 > 55 > 365 > 262.5834900861921 > 0 > 34 > 0 > 0 > (2S,4S,5R)-2-{[(2R,3R,4S,5S,6R)-2-{[(2S,3R,4R,5R,6R)-2-{[(2R,3S,4R,5R,6S)-4-{[(2S,4S,5R)-2-carboxy-6-[(1S,2R)-2-{[(2S,4S,5R)-2-carboxy-6-[(1S,2R)-2-{[(2S,4S,5R)-2-carboxy-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy}-1,3-dihydroxypropyl]-5-acetamido-4-hydroxyoxan-2-yl]oxy}-1,3-dihydroxypropyl]-5-acetamido-4-hydroxyoxan-2-yl]oxy}-6-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-{[(2S,3R)-3-hydroxy-2-tricosanamidooctadec-4-en-1-yl]oxy}-2-(hydroxymethyl)oxan-3-yl]oxy}-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-(2-oxopropyl)oxan-4-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid > 0.68 > -1.986200216666672 > -3.45 > 1 > 8 > -4 > 2.611851049980949 > 2.1619347183861306 > -3.9476121977780165 > 965.2000000000006 > 581.6510999999998 > 79 > 0 > 8.90e-01 g/l > (2S,4S,5R)-2-{[(2R,3R,4S,5S,6R)-2-{[(2S,3R,4R,5R,6R)-2-{[(2R,3S,4R,5R,6S)-4-{[(2S,4S,5R)-2-carboxy-6-[(1S,2R)-2-{[(2S,4S,5R)-2-carboxy-6-[(1S,2R)-2-{[(2S,4S,5R)-2-carboxy-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy}-1,3-dihydroxypropyl]-5-acetamido-4-hydroxyoxan-2-yl]oxy}-1,3-dihydroxypropyl]-5-acetamido-4-hydroxyoxan-2-yl]oxy}-6-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-{[(2S,3R)-3-hydroxy-2-tricosanamidooctadec-4-en-1-yl]oxy}-2-(hydroxymethyl)oxan-3-yl]oxy}-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-(2-oxopropyl)oxan-4-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid > 0 > FDB028625 > Ganglioside GQ1c (d18:1/23:0) $$$$