8003 -OEChem-09042102123D 17 16 0 0 0 0 0 0 0999 V2000 0.0000 0.3478 -0.0228 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2621 -0.5140 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2621 -0.5140 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5198 0.3401 0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5199 0.3401 0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.9783 -0.9202 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0201 0.8439 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2800 -1.1710 -0.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2583 -1.1576 0.8874 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2799 -1.1710 -0.8774 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2582 -1.1576 0.8873 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5484 0.9847 0.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5708 0.9752 -0.8788 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4101 -0.2964 0.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5484 0.9848 0.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4101 -0.2964 0.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5709 0.9750 -0.8787 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 6 1 0 0 0 0 1 7 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 3 5 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 M END > 8003 > 0.4 > 1 4 5 2 3 > 0 > 2 > 2 1 4 hydrophobe 1 5 hydrophobe > 5 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 00001F4300000001 > -5.2609 > 10.149 > 139733 1 9511462220978991821 14390081 3 18272929440206324224 16714656 1 18412826884619234557 20096714 4 18410855485908534568 29004967 10 16153429432622070120 5460574 1 9295290538482337319 > 102.9 3.79 0.79 0.62 0 0.03 0 -0.54 0.03 0 0 0 0 0 > 168.554 > 72.3 > 2 5 10 $$$$