Ketcher 10262017092D 1 1.00000 0.00000 0 197213 0 1 0 999 V2000 51.3818 -8.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 51.3818 -9.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 50.5137 -7.5980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 50.5137 -9.6026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 49.6458 -8.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 49.6458 -9.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 52.2497 -7.5980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 52.2497 -9.6026 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 50.5137 -10.6049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 48.7778 -9.6026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 48.7778 -7.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.9097 -8.0992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 54.8538 -6.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 54.8538 -7.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 53.9857 -5.5935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 53.9857 -7.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 53.1180 -6.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 53.1180 -7.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 55.7220 -5.5935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 55.7220 -7.5980 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 53.9857 -8.6003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 52.2497 -5.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.9097 -10.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.9097 -11.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.0417 -9.6026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 47.0417 -11.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.1736 -10.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.1736 -11.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 48.7778 -11.6072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 47.0417 -12.6095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 45.3056 -11.6072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 45.3056 -9.6026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.3056 -8.6003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 52.2497 -4.5912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 56.5899 -7.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 56.5899 -6.0946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 57.4578 -7.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 53.1177 -9.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 53.1178 -8.0992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 53.9856 -9.6026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.3056 -7.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.4376 -7.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.1737 -7.0969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 44.4376 -6.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.1737 -6.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.3058 -5.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.5697 -7.5980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 43.5697 -5.5934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 45.3058 -4.5912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 47.0417 -5.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.0417 -4.5912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 40.0976 -5.5934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 42.7017 -7.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.8336 -7.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.7017 -6.0945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 40.9655 -7.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.8336 -5.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.9655 -6.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.8336 -8.6002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 40.0975 -7.5980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 41.8336 -4.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.1736 -13.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.1736 -14.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.3055 -12.6095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 45.3055 -14.6141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.4375 -13.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.4375 -14.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.0417 -14.6141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 45.3055 -15.6164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 43.5695 -14.6141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 43.5695 -12.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.0417 -18.6234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 47.0417 -15.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.9097 -16.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.1736 -16.1176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 47.9097 -17.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.1737 -17.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.0417 -17.6211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 48.7778 -15.6164 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 48.7778 -17.6209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 45.3058 -17.6211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.7016 -9.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.5696 -8.6003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 42.7016 -10.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.7016 -4.0899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 40.0976 -4.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.2297 -4.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.9657 -4.0899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 39.2298 -3.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.9657 -3.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.0977 -2.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.3617 -4.5910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 38.3617 -2.5864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 40.0978 -1.5841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 41.8337 -2.5865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.8337 -1.5841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.4938 -3.0876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.6258 -2.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.4938 -4.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.6257 -4.5909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.7578 -4.0898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.7578 -3.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.6256 -5.5932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.8897 -4.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.8899 -2.5864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.6258 -1.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.3615 -7.5980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.4935 -8.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.2295 -8.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.2295 -9.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.3615 -9.6024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.4935 -9.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.0973 -9.6025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 38.3614 -10.6048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.6255 -9.6025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.6255 -7.5979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.5695 -11.6072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 48.7778 -14.6141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.9098 -14.1129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 49.6458 -14.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.5603 -14.6140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 42.5673 -14.6141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.0661 -15.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.0661 -13.7461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 41.0638 -15.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.0638 -13.7461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.5627 -14.6141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.5672 -16.3501 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 40.5625 -16.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 40.5627 -12.8780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.0660 -17.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.7240 -17.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.0637 -17.2181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 41.0638 -12.0100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 39.0592 -13.7460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.0569 -13.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.5605 -12.8779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.5559 -12.8778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.0593 -12.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.0570 -12.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.5557 -14.6138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.5536 -12.8778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.5559 -11.1418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 39.5605 -11.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.3217 -10.9235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.0524 -13.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.0501 -13.7456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.5536 -14.6138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.0524 -15.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.0501 -15.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.5490 -14.6136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.5533 -16.3498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.5488 -16.3495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.5467 -14.6135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.5491 -12.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.0592 -17.2181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 38.5581 -18.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.0615 -17.2180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.5627 -18.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.0615 -18.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.0593 -18.9540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.5649 -18.0860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 40.5627 -19.8220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 38.5582 -19.8221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.5558 -18.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.4377 -17.1199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 46.1737 -19.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.1737 -20.1267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.3058 -18.6234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 45.3055 -20.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.4377 -19.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.4377 -20.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.0417 -20.6280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 45.3055 -21.6302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 43.5696 -20.6279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 43.5699 -18.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.7016 -19.1244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 46.1737 -22.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 46.1736 -23.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.0417 -21.6302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.9096 -22.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.9095 -23.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.0414 -23.6347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 48.7775 -21.6305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 48.7774 -23.6348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 47.0414 -24.6370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 45.3055 -23.6347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 49.6458 -19.1243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 50.5137 -19.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 49.6457 -18.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 50.5137 -17.6209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 51.3817 -18.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 51.3817 -19.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 50.5138 -16.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 52.2497 -17.6210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 52.2497 -19.6255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 50.5137 -20.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 2 4 1 0 0 0 3 5 1 0 0 0 4 6 1 0 0 0 5 6 1 0 0 0 1 7 1 1 0 0 2 8 1 6 0 0 4 9 1 1 0 0 6 10 1 6 0 0 5 11 1 1 0 0 12 11 1 0 0 0 13 14 1 0 0 0 13 15 1 0 0 0 14 16 1 0 0 0 15 17 1 0 0 0 16 18 1 0 0 0 17 18 1 0 0 0 13 19 1 1 0 0 14 20 1 6 0 0 16 21 1 1 0 0 18 7 1 6 0 0 17 22 1 1 0 0 23 24 1 0 0 0 23 25 1 0 0 0 24 26 1 0 0 0 25 27 1 0 0 0 26 28 1 0 0 0 27 28 1 0 0 0 23 10 1 1 0 0 24 29 1 1 0 0 26 30 1 1 0 0 28 31 1 6 0 0 27 32 1 1 0 0 32 33 1 0 0 0 22 34 1 0 0 0 36 35 2 0 0 0 37 35 1 0 0 0 20 35 1 0 0 0 39 38 2 0 0 0 40 38 1 0 0 0 8 38 1 0 0 0 41 42 1 0 0 0 41 43 1 0 0 0 42 44 1 0 0 0 43 45 1 0 0 0 44 46 1 0 0 0 45 46 1 0 0 0 41 33 1 6 0 0 42 47 1 1 0 0 44 48 1 1 0 0 46 49 1 6 0 0 45 50 1 1 0 0 51 50 1 0 0 0 53 54 1 0 0 0 53 55 1 0 0 0 54 56 1 0 0 0 55 57 1 0 0 0 56 58 1 0 0 0 57 58 1 0 0 0 53 47 1 1 0 0 54 59 1 6 0 0 56 60 1 1 0 0 58 52 1 6 0 0 57 61 1 1 0 0 62 63 1 0 0 0 62 64 1 0 0 0 63 65 1 0 0 0 64 66 1 0 0 0 65 67 1 0 0 0 66 67 1 0 0 0 62 30 1 6 0 0 63 68 1 1 0 0 65 69 1 1 0 0 67 70 1 6 0 0 66 71 1 1 0 0 73 74 1 0 0 0 73 75 1 0 0 0 74 76 1 0 0 0 75 77 1 0 0 0 76 78 1 0 0 0 77 78 1 0 0 0 73 68 1 1 0 0 74 79 1 6 0 0 76 80 1 1 0 0 78 72 1 6 0 0 77 81 1 1 0 0 82 83 2 0 0 0 82 84 1 0 0 0 59 82 1 0 0 0 61 85 1 0 0 0 86 87 1 0 0 0 86 88 1 0 0 0 87 89 1 0 0 0 88 90 1 0 0 0 89 91 1 0 0 0 90 91 1 0 0 0 86 52 1 1 0 0 87 92 1 6 0 0 89 93 1 1 0 0 91 94 1 1 0 0 90 95 1 1 0 0 96 95 1 0 0 0 98 97 1 0 0 0 99 97 1 0 0 0 99 92 1 1 0 0 99100 1 0 0 0 100103 1 1 0 0 100101 1 0 0 0 101104 1 6 0 0 101102 1 0 0 0 102 98 1 0 0 0 102105 1 6 0 0 98106 1 6 0 0 108107 1 0 0 0 109107 1 0 0 0 109 60 1 1 0 0 109110 1 0 0 0 110113 1 1 0 0 110111 1 0 0 0 111114 1 6 0 0 111112 1 0 0 0 112108 1 0 0 0 112115 1 6 0 0 108116 1 6 0 0 71117 1 0 0 0 118119 2 0 0 0 118120 1 0 0 0 79118 1 0 0 0 122123 1 0 0 0 122124 1 0 0 0 123125 1 0 0 0 124126 1 0 0 0 125127 1 0 0 0 126127 1 0 0 0 122 70 1 1 0 0 123128 1 6 0 0 125129 1 1 0 0 127121 1 6 0 0 126130 1 1 0 0 131132 1 0 0 0 131133 2 0 0 0 128131 1 0 0 0 130134 1 0 0 0 135136 1 0 0 0 135137 1 0 0 0 136138 1 0 0 0 137139 1 0 0 0 138140 1 0 0 0 139140 1 0 0 0 135121 1 1 0 0 136141 1 6 0 0 138142 1 1 0 0 140143 1 1 0 0 139144 1 1 0 0 145144 1 0 0 0 147146 1 0 0 0 148146 1 0 0 0 148141 1 1 0 0 148149 1 0 0 0 149152 1 1 0 0 149150 1 0 0 0 150153 1 6 0 0 150151 1 0 0 0 151147 1 0 0 0 151154 1 6 0 0 147155 1 6 0 0 157156 1 0 0 0 158156 1 0 0 0 158129 1 1 0 0 158159 1 0 0 0 159162 1 1 0 0 159160 1 0 0 0 160163 1 6 0 0 160161 1 0 0 0 161157 1 0 0 0 161164 1 6 0 0 157165 1 6 0 0 81166 1 0 0 0 167168 1 0 0 0 167169 1 0 0 0 168170 1 0 0 0 169171 1 0 0 0 170172 1 0 0 0 171172 1 0 0 0 167 72 1 1 0 0 168173 1 6 0 0 170174 1 1 0 0 172175 1 1 0 0 171176 1 1 0 0 177176 1 0 0 0 179178 1 0 0 0 180178 1 0 0 0 180173 1 1 0 0 180181 1 0 0 0 181184 1 1 0 0 181182 1 0 0 0 182185 1 6 0 0 182183 1 0 0 0 183179 1 0 0 0 183186 1 6 0 0 179187 1 6 0 0 189188 1 0 0 0 190188 1 0 0 0 190 80 1 1 0 0 190191 1 0 0 0 191194 1 1 0 0 191192 1 0 0 0 192195 1 6 0 0 192193 1 0 0 0 193189 1 0 0 0 193196 1 6 0 0 189197 1 6 0 0 M END > CHEBI:157691 > alpha-L-Fucp-(1->2)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->6)-{alpha-L-Fucp-(1->2)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc-(1->2)-[alpha-L-Fucp-(1->2)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc-(1->4)]-alpha-D-Manp-(1->3)}-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc > A branched 17-residue amino oligosaccharide comprising a β-D-mannosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-β-D-glucosamine trisaccharide backbone, to the mannosyl residue are connected α-L-fucosyl-(1→2)-β-D-galactosyl-(1→4)-[α-L-fucosyl-(1→3)]-N-acetyl-β-D-glucosaminyl-(1→2)-[α-L-fucosyl-(1→2)-β-D-galactosyl-(1→4)-[α-L-fucosyl-(1→3)]-N-acetyl-β-D-glucosaminyl-(1→4)]-α-D-mannosyl and α-L-fucosyl-(1→2)-β-D-galactosyl-(1→4)-[α-L-fucosyl-(1→3)]-N-acetyl-β-D-glucosaminyl-(1→2)-α-D-mannosyl units via (1→2) and (1→6) linkages respectively. > 3 > Fucalpha1-2Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-2Manalpha1-6(Fucalpha1-2Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-2(Fucalpha1-2Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-4)Manalpha1-3)Manbeta1-4GlcNAcbeta1-4GlcNAcbeta; Fuca1-2Galb1-4(Fuca1-3)GlcNAcb1-2Mana1-6(Fuca1-2Galb1-4(Fuca1-3)GlcNAcb1-4(Fuca1-2Galb1-4(Fuca1-3)GlcNAcb1-2)Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb; Fuca1-2Galb1-4(Fuca1-3)-GlcNAcb1-2Mana1-6(Fuca1-2Galb1-4(Fuca1-3)-GlcNAcb1-2(Fuca1-2Galb1-4(Fuca1-3)-GlcNAcb1-4)Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb; alpha-L-fucosyl-(1->2)-beta-D-galactosyl-(1->4)-[alpha-L-fucosyl-(1->3)]-N-acetyl-beta-D-glucosaminyl-(1->2)-[alpha-L-fucosyl-(1->2)-beta-D-galactosyl-(1->4)-[alpha-L-fucosyl-(1->3)]-N-acetyl-beta-D-glucosaminyl-(1->4)]-alpha-D-mannosyl-(1->3)-[alpha-L-fucosyl-(1->2)-beta-D-galactosyl-(1->4)-[alpha-L-fucosyl-(1->3)]-N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl-(1->6)]-beta-D-mannosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-beta-D-glucosamine; alpha-L-Fuc-(1->2)-beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->6)-{alpha-L-Fuc-(1->2)-beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc-(1->2)-[alpha-L-Fuc-(1->2)-beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc-(1->4)]-alpha-D-Man-(1->3)}-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc; 6-deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->4)-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->2)-[6-deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->4)-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)]-alpha-D-mannopyranosyl-(1->3)-[6-deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->4)-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->6)]-beta-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranose > alpha-L-fucopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->4)-[alpha-L-fucopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->2)-[alpha-L-fucopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->4)-[alpha-L-fucopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)]-alpha-D-mannopyranosyl-(1->3)-[alpha-L-fucopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->4)-[alpha-L-fucopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->6)]-beta-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranose > C112H187N5O80 > 2883.683 > 2882.07182 > 0 > C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H](O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H]4NC(C)=O)[C@@H](O[C@H]4[C@H](O)[C@@H](CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H](O[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H]5NC(C)=O)O[C@@H](O[C@H]5[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]6[C@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]6CO)O[C@@H]5CO)[C@H]4O)O[C@@H]3CO)[C@H](NC(C)=O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O > InChI=1S/C112H187N5O80/c1-23-50(133)63(146)73(156)101(166-23)189-87-47(115-31(9)130)98(178-41(19-125)84(87)186-109-92(70(153)57(140)35(13-119)174-109)195-104-76(159)66(149)53(136)26(4)169-104)184-83-40(18-124)181-112(95(79(83)162)194-100-49(117-33(11)132)89(191-103-75(158)65(148)52(135)25(3)168-103)86(43(21-127)180-100)188-111-94(72(155)59(142)37(15-121)176-111)197-106-78(161)68(151)55(138)28(6)171-106)192-90-60(143)44(182-107(80(90)163)185-82-39(17-123)177-97(46(62(82)145)114-30(8)129)183-81-38(16-122)172-96(164)45(61(81)144)113-29(7)128)22-165-108-91(69(152)56(139)34(12-118)173-108)193-99-48(116-32(10)131)88(190-102-74(157)64(147)51(134)24(2)167-102)85(42(20-126)179-99)187-110-93(71(154)58(141)36(14-120)175-110)196-105-77(160)67(150)54(137)27(5)170-105/h23-28,34-112,118-127,133-164H,12-22H2,1-11H3,(H,113,128)(H,114,129)(H,115,130)(H,116,131)(H,117,132)/t23-,24-,25-,26-,27-,28-,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,57-,58-,59-,60+,61+,62+,63+,64+,65+,66+,67+,68+,69-,70-,71-,72-,73-,74-,75-,76-,77-,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-,105-,106-,107-,108-,109-,110-,111-,112+/m0/s1 > BESGDWOVMBZHCJ-YQPWILALSA-N > 31537530 $$$$