REMARK Name = BDB006482 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.020 -3.030 0.392 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -0.166 -1.926 0.912 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.523 -0.545 1.004 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.572 0.143 1.532 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.548 1.535 1.729 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -0.616 2.234 1.394 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -1.731 1.567 0.886 0.00 0.00 +0.037 A ATOM 8 N LIG 1 1.567 -0.793 1.760 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -1.688 0.181 0.671 0.00 0.00 +0.023 A ATOM 10 C LIG 1 1.125 -2.054 1.403 0.00 0.00 +0.020 A ATOM 11 C LIG 1 1.968 -3.278 1.532 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -2.943 2.365 0.558 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -4.151 1.714 0.690 0.00 0.00 -0.305 N ATOM 14 H LIG 1 -4.176 0.824 1.169 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -2.842 3.541 0.229 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -5.411 2.393 0.451 0.00 0.00 +0.101 C ATOM 17 C LIG 1 -5.772 3.301 1.634 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 -6.468 1.346 0.102 0.00 0.00 -0.016 A ATOM 19 C LIG 1 -6.602 0.856 -1.223 0.00 0.00 +0.060 A ATOM 20 C LIG 1 -7.572 -0.133 -1.498 0.00 0.00 +0.025 A ATOM 21 C LIG 1 -8.403 -0.652 -0.495 0.00 0.00 +0.055 A ATOM 22 C LIG 1 -8.241 -0.185 0.812 0.00 0.00 +0.013 A ATOM 23 C LIG 1 -7.288 0.794 1.105 0.00 0.00 +0.006 A BRANCH 19 24 ATOM 24 C LIG 1 -5.730 1.355 -2.364 0.00 0.00 +0.418 C ATOM 25 F LIG 1 -5.867 2.690 -2.587 0.00 0.00 -0.166 F ATOM 26 F LIG 1 -4.406 1.122 -2.162 0.00 0.00 -0.166 F ATOM 27 F LIG 1 -6.023 0.758 -3.557 0.00 0.00 -0.166 F ENDBRANCH 19 24 BRANCH 21 28 ATOM 28 C LIG 1 -9.416 -1.726 -0.811 0.00 0.00 +0.417 C ATOM 29 F LIG 1 -9.955 -1.598 -2.056 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -8.876 -2.974 -0.763 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -10.470 -1.740 0.051 0.00 0.00 -0.166 F ENDBRANCH 21 28 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 32 ATOM 32 C LIG 1 2.876 -0.489 2.343 0.00 0.00 +0.157 C BRANCH 32 33 ATOM 33 C LIG 1 3.997 -0.516 1.331 0.00 0.00 -0.028 A ATOM 34 C LIG 1 3.932 0.225 0.143 0.00 0.00 +0.006 A ATOM 35 C LIG 1 4.992 0.207 -0.768 0.00 0.00 +0.009 A ATOM 36 C LIG 1 6.149 -0.543 -0.513 0.00 0.00 -0.017 A ATOM 37 C LIG 1 6.216 -1.275 0.680 0.00 0.00 +0.009 A ATOM 38 C LIG 1 5.157 -1.258 1.594 0.00 0.00 +0.006 A BRANCH 36 39 ATOM 39 C LIG 1 7.257 -0.574 -1.480 0.00 0.00 -0.004 A ATOM 40 C LIG 1 8.073 0.541 -1.762 0.00 0.00 +0.067 A ATOM 41 C LIG 1 9.063 0.476 -2.756 0.00 0.00 +0.015 A ATOM 42 C LIG 1 9.276 -0.709 -3.458 0.00 0.00 +0.001 A ATOM 43 C LIG 1 8.497 -1.827 -3.177 0.00 0.00 +0.001 A ATOM 44 C LIG 1 7.497 -1.759 -2.202 0.00 0.00 +0.009 A BRANCH 40 45 ATOM 45 C LIG 1 7.938 1.831 -1.058 0.00 0.00 +0.337 C ATOM 46 O LIG 1 7.901 2.927 -1.586 0.00 0.00 -0.245 OA BRANCH 45 47 ATOM 47 O LIG 1 7.961 1.683 0.277 0.00 0.00 -0.477 OA ATOM 48 H LIG 1 7.881 2.596 0.622 0.00 0.00 +0.295 HD ENDBRANCH 45 47 ENDBRANCH 40 45 ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 8 32 TORSDOF 10