8001 -OEChem-03292410163D 11 10 0 0 0 0 0 0 0999 V2000 -2.8332 0.5071 -0.0124 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.8332 0.5071 -0.0125 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.2369 0.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2499 -0.6256 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2498 -0.6255 -0.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8604 0.9361 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 0.9296 -0.8191 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3003 -1.2359 -0.9099 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3289 -1.2698 0.8759 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3002 -1.2360 -0.9097 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3289 -1.2696 0.8762 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 M END > 8001 > 0.4 > 1 4 5 2 3 > 4 1 -0.23 2 -0.23 4 0.23 5 0.23 > 2 > 2 1 1 hydrophobe 1 2 hydrophobe > 5 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 00001F4100000001 > 0.5682 > 10.149 > 12932741 1 15769483335098923050 14390081 3 18343017804623899001 16714656 1 18341894091024026693 20096714 4 18410292531649576969 29004967 10 14923944530978902344 5460574 1 9223230749811066659 > 114.78 4.94 0.94 0.67 0 0 0 1.33 -0.04 0 0 0 0.02 0 > 169.708 > 86.2 > 2 5 10 $$$$