REMARK Name = BDB047804 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.342 0.456 -0.873 0.00 0.00 -0.009 A ATOM 2 C LIG 1 -1.173 1.584 -0.873 0.00 0.00 +0.015 A ATOM 3 C LIG 1 -2.536 1.486 -0.550 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -3.053 0.219 -0.226 0.00 0.00 +0.017 A ATOM 5 C LIG 1 -2.249 -0.934 -0.219 0.00 0.00 -0.017 A ATOM 6 C LIG 1 -0.892 -0.794 -0.548 0.00 0.00 +0.015 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -3.400 2.678 -0.545 0.00 0.00 -0.018 A ATOM 8 C LIG 1 -4.143 3.027 0.593 0.00 0.00 +0.009 A ATOM 9 C LIG 1 -4.965 4.159 0.600 0.00 0.00 +0.013 A ATOM 10 C LIG 1 -5.060 4.977 -0.533 0.00 0.00 +0.055 A ATOM 11 C LIG 1 -4.329 4.630 -1.677 0.00 0.00 +0.013 A ATOM 12 C LIG 1 -3.507 3.498 -1.680 0.00 0.00 +0.009 A BRANCH 10 13 ATOM 13 C LIG 1 -5.963 6.186 -0.536 0.00 0.00 +0.417 C ATOM 14 F LIG 1 -6.114 6.746 0.696 0.00 0.00 -0.166 F ATOM 15 F LIG 1 -7.221 5.891 -0.969 0.00 0.00 -0.166 F ATOM 16 F LIG 1 -5.515 7.186 -1.346 0.00 0.00 -0.166 F ENDBRANCH 10 13 ENDBRANCH 3 7 BRANCH 5 17 ATOM 17 C LIG 1 -2.812 -2.250 0.127 0.00 0.00 -0.018 A ATOM 18 C LIG 1 -2.227 -3.048 1.123 0.00 0.00 +0.009 A ATOM 19 C LIG 1 -2.760 -4.298 1.455 0.00 0.00 +0.013 A ATOM 20 C LIG 1 -3.892 -4.789 0.792 0.00 0.00 +0.055 A ATOM 21 C LIG 1 -4.488 -3.995 -0.198 0.00 0.00 +0.013 A ATOM 22 C LIG 1 -3.952 -2.746 -0.526 0.00 0.00 +0.009 A BRANCH 20 23 ATOM 23 C LIG 1 -4.482 -6.127 1.164 0.00 0.00 +0.417 C ATOM 24 F LIG 1 -3.550 -7.018 1.607 0.00 0.00 -0.166 F ATOM 25 F LIG 1 -5.405 -6.027 2.159 0.00 0.00 -0.166 F ATOM 26 F LIG 1 -5.116 -6.740 0.126 0.00 0.00 -0.166 F ENDBRANCH 20 23 ENDBRANCH 5 17 BRANCH 1 27 ATOM 27 C LIG 1 1.121 0.570 -1.232 0.00 0.00 +0.264 C BRANCH 27 28 ATOM 28 O LIG 1 1.892 0.078 -0.138 0.00 0.00 -0.487 OA BRANCH 28 31 ATOM 29 C LIG 1 3.244 -0.932 2.049 0.00 0.00 +0.047 C ATOM 30 C LIG 1 3.969 -0.458 0.818 0.00 0.00 -0.005 A ATOM 31 C LIG 1 3.253 0.052 -0.280 0.00 0.00 +0.124 A ATOM 32 C LIG 1 3.950 0.487 -1.409 0.00 0.00 +0.049 A ATOM 33 C LIG 1 5.345 0.415 -1.446 0.00 0.00 +0.049 A ATOM 34 C LIG 1 6.065 -0.089 -0.363 0.00 0.00 +0.122 A ATOM 35 C LIG 1 5.374 -0.525 0.768 0.00 0.00 +0.052 A BRANCH 34 36 ATOM 36 O LIG 1 7.420 -0.100 -0.536 0.00 0.00 -0.481 OA BRANCH 36 37 ATOM 37 C LIG 1 8.207 -0.603 0.536 0.00 0.00 +0.349 C BRANCH 37 38 ATOM 38 C LIG 1 9.680 -0.541 0.178 0.00 0.00 +0.343 C ATOM 39 O LIG 1 10.192 -0.135 -0.851 0.00 0.00 -0.247 OA BRANCH 38 40 ATOM 40 O LIG 1 10.462 -1.014 1.176 0.00 0.00 -0.478 OA ATOM 41 H LIG 1 11.371 -0.917 0.819 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 28 31 ENDBRANCH 27 28 ENDBRANCH 1 27 TORSDOF 11