REMARK Name = BDB006480 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.587 1.067 -3.484 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.102 1.375 -2.200 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.521 1.613 -0.936 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.488 1.867 -0.005 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.199 2.152 1.342 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -1.139 2.174 1.744 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -2.164 1.908 0.837 0.00 0.00 +0.037 A ATOM 8 N LIG 1 1.694 1.777 -0.680 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -1.867 1.642 -0.508 0.00 0.00 +0.023 A ATOM 10 C LIG 1 1.472 1.491 -2.014 0.00 0.00 +0.020 A ATOM 11 C LIG 1 2.575 1.336 -3.007 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -3.568 1.937 1.326 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -4.441 1.069 0.705 0.00 0.00 -0.305 N ATOM 14 H LIG 1 -4.068 0.349 0.101 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -3.888 2.674 2.251 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -5.831 0.963 1.110 0.00 0.00 +0.101 C ATOM 17 C LIG 1 -5.949 0.164 2.415 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 -6.638 0.412 -0.066 0.00 0.00 -0.016 A ATOM 19 C LIG 1 -6.988 1.244 -1.164 0.00 0.00 +0.060 A ATOM 20 C LIG 1 -7.707 0.692 -2.246 0.00 0.00 +0.013 A ATOM 21 C LIG 1 -8.072 -0.652 -2.259 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -7.719 -1.471 -1.196 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -7.005 -0.948 -0.116 0.00 0.00 +0.006 A BRANCH 19 24 ATOM 24 C LIG 1 -6.599 2.710 -1.234 0.00 0.00 +0.418 C ATOM 25 F LIG 1 -7.125 3.349 -2.322 0.00 0.00 -0.166 F ATOM 26 F LIG 1 -7.024 3.430 -0.161 0.00 0.00 -0.166 F ATOM 27 F LIG 1 -5.255 2.898 -1.328 0.00 0.00 -0.166 F ENDBRANCH 19 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 28 ATOM 28 C LIG 1 3.005 2.013 -0.072 0.00 0.00 +0.157 C BRANCH 28 29 ATOM 29 C LIG 1 3.788 0.742 0.160 0.00 0.00 -0.028 A ATOM 30 C LIG 1 3.239 -0.339 0.864 0.00 0.00 +0.006 A ATOM 31 C LIG 1 3.988 -1.497 1.091 0.00 0.00 +0.009 A ATOM 32 C LIG 1 5.309 -1.603 0.632 0.00 0.00 -0.017 A ATOM 33 C LIG 1 5.859 -0.516 -0.062 0.00 0.00 +0.009 A ATOM 34 C LIG 1 5.112 0.643 -0.290 0.00 0.00 +0.006 A BRANCH 32 35 ATOM 35 C LIG 1 6.092 -2.827 0.861 0.00 0.00 -0.004 A ATOM 36 C LIG 1 6.510 -3.254 2.137 0.00 0.00 +0.067 A ATOM 37 C LIG 1 7.184 -4.475 2.305 0.00 0.00 +0.015 A ATOM 38 C LIG 1 7.479 -5.270 1.200 0.00 0.00 +0.001 A ATOM 39 C LIG 1 7.098 -4.854 -0.072 0.00 0.00 +0.001 A ATOM 40 C LIG 1 6.409 -3.649 -0.239 0.00 0.00 +0.009 A BRANCH 36 41 ATOM 41 C LIG 1 6.261 -2.471 3.363 0.00 0.00 +0.337 C ATOM 42 O LIG 1 5.801 -2.906 4.402 0.00 0.00 -0.245 OA BRANCH 41 43 ATOM 43 O LIG 1 6.698 -1.206 3.248 0.00 0.00 -0.477 OA ATOM 44 H LIG 1 6.495 -0.799 4.114 0.00 0.00 +0.295 HD ENDBRANCH 41 43 ENDBRANCH 36 41 ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 8 28 TORSDOF 9