6589 -OEChem-03282415543D 20 19 0 0 0 0 0 0 0999 V2000 0.7182 0.2945 -0.3661 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7182 -0.2944 -0.3659 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0257 1.1919 0.8359 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7804 -0.8053 -0.4699 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0254 -1.1919 0.8359 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7806 0.8052 -0.4698 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8160 0.9147 -1.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8161 -0.9146 -1.2674 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9791 0.6383 1.7788 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0345 1.6112 0.7508 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3311 2.0345 0.8966 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7716 -0.3662 -0.6279 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8309 -1.4116 0.4398 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5745 -1.4696 -1.3157 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3308 -2.0346 0.8964 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9785 -0.6385 1.7789 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0342 -1.6112 0.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8312 1.4118 0.4398 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7718 0.3658 -0.6275 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5751 1.4693 -1.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 7 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 M END > 6589 > 0.4 > 1 2 3 > 0 > 1 > 2 3 1 3 4 hydrophobe 3 2 5 6 hydrophobe > 6 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 000019BD00000001 > 6.4127 > 10.182 > 137420 1 14210207548903878447 16714656 1 17531538572250223695 20096714 4 18341602690404418173 21040471 1 17895747405347166253 24536 1 18042116725187677885 29004967 10 18060424577569916894 5943 1 16099473149988438040 > 123.48 2.2 1.33 0.97 0 0 0.14 0 -0.27 0 0.28 0 0 0.54 > 212.669 > 85.1 > 2 5 10 $$$$