638066 -OEChem-03282421133D 18 17 0 0 0 0 0 0 0999 V2000 1.9539 -0.4708 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9538 -0.4707 -0.0308 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5095 -0.4767 0.4359 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5096 -0.4767 -0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4835 0.9474 -0.1138 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4834 0.9474 0.1138 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5381 -1.0149 0.7816 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0861 -1.0063 -0.9168 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5382 -1.0150 -0.7813 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0860 -1.0061 0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2997 -0.4648 1.5026 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2998 -0.4651 -1.5027 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5422 0.9281 -0.3919 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9411 1.4982 -0.8898 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3912 1.5023 0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3913 1.5022 -0.8262 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5420 0.9282 0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9409 1.4983 0.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 4 2 0 0 0 0 3 11 1 0 0 0 0 4 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 M END > 638066 > 0.4 > 3 8 6 7 2 1 4 5 > 6 1 0.14 11 0.15 12 0.15 2 0.14 3 -0.29 4 -0.29 > 2 > 2 1 5 hydrophobe 1 6 hydrophobe > 6 > 0 > 0 > 1 > 0 > 0 > 1 > 1 > 0009BC7200000003 > -2.3147 > 10.149 > 10857977 72 15430043170739934221 14390081 3 18413386561675882864 16714656 1 17917992797598917485 20096714 4 18409727374214892778 21040471 1 18201712972679676298 29004967 10 14201399365274289223 5460574 1 9151177557988159503 > 123.48 4.03 1.07 0.68 0 0.21 0 1.31 0 0 0 0 -0.03 -0.13 > 212.505 > 81.5 > 2 5 10 $$$$