10044 -OEChem-03282408133D 23 22 0 0 0 0 0 0 0999 V2000 0.6389 -0.0001 -0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8723 0.0000 -0.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3510 1.2548 -0.5521 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3617 -1.2315 -0.5902 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8193 -0.0230 1.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6492 1.2447 0.0239 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6493 -1.2449 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8991 0.0008 -1.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9903 2.1716 -0.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2017 1.3511 -1.6332 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4313 1.2085 -0.3706 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0044 -2.1660 -0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4408 -1.1845 -0.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2177 -1.2927 -1.6746 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3811 -0.9205 1.9756 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3637 0.8509 2.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8827 -0.0172 1.7954 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2138 2.1641 -0.3772 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6832 1.2034 -0.3374 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6871 1.3251 1.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7002 -1.3177 1.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2055 -2.1652 -0.3661 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6792 -1.2099 -0.3506 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 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 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 7 21 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 M END > 10044 > 0.4 > 1 > 0 > 1 > 2 3 2 6 7 hydrophobe 4 1 3 4 5 hydrophobe > 7 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0000273C00000001 > 17.3961 > 10.174 > 137420 1 7961233177670726922 16714656 1 17832151519536584782 20096714 4 18261679181480728357 21040471 1 18268142055147104085 23552333 60 17677878201498763019 24536 1 18339065047584601653 29004967 10 18049175654452595091 5084963 1 18056475050399124341 5943 1 13886613429690801433 > 144.06 2.18 1.5 1.07 0.55 0.02 -0.44 0 0.18 0.13 0.24 -0.38 -0.01 0 > 256.036 > 98.1 > 2 5 10 $$$$