REMARK Name = BDB036013 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.873 -0.416 0.911 0.00 0.00 -0.032 A ATOM 2 C LIG 1 3.264 0.462 1.839 0.00 0.00 +0.017 A ATOM 3 C LIG 1 1.866 0.636 1.885 0.00 0.00 +0.061 A ATOM 4 C LIG 1 1.101 -0.095 0.980 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.380 -0.124 0.788 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -0.569 -1.071 -0.302 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.656 -1.580 -0.748 0.00 0.00 +0.251 C ATOM 8 O LIG 1 0.921 -2.379 -1.627 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.703 -0.956 0.071 0.00 0.00 +0.043 A ATOM 10 C LIG 1 3.072 -1.136 0.012 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -1.859 -1.411 -0.798 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.016 -0.796 -0.276 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -4.327 -1.091 -0.722 0.00 0.00 -0.032 A ATOM 14 C LIG 1 -4.428 -2.064 -1.734 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -3.304 -2.686 -2.273 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.031 -2.358 -1.809 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.655 -0.378 -0.136 0.00 0.00 +0.056 C ATOM 18 C LIG 1 -6.565 -1.296 0.764 0.00 0.00 +0.022 C ATOM 19 C LIG 1 -5.848 -0.696 1.998 0.00 0.00 -0.012 C ATOM 20 C LIG 1 -6.695 -0.478 3.235 0.00 0.00 +0.007 C ATOM 21 C LIG 1 -5.563 0.551 1.128 0.00 0.00 +0.022 C BRANCH 17 22 ATOM 22 C LIG 1 -6.451 0.327 -1.308 0.00 0.00 +0.144 A ATOM 23 N LIG 1 -6.008 1.332 -2.125 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -4.725 1.978 -2.113 0.00 0.00 +0.151 C ATOM 25 C LIG 1 -7.029 1.596 -2.985 0.00 0.00 +0.224 A ATOM 26 N LIG 1 -8.042 0.806 -2.718 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 -7.676 0.001 -1.665 0.00 0.00 -0.134 NA ENDBRANCH 17 22 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 28 ATOM 28 C LIG 1 1.216 1.572 2.867 0.00 0.00 +0.418 C ATOM 29 F LIG 1 0.465 2.525 2.248 0.00 0.00 -0.166 F ATOM 30 F LIG 1 0.365 0.923 3.709 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.097 2.240 3.659 0.00 0.00 -0.166 F ENDBRANCH 3 28 BRANCH 1 32 ATOM 32 C LIG 1 5.381 -0.583 0.882 0.00 0.00 +0.119 C BRANCH 32 38 ATOM 33 C LIG 1 9.828 0.183 -0.220 0.00 0.00 +0.039 C ATOM 34 C LIG 1 8.378 0.633 -0.108 0.00 0.00 +0.129 C ATOM 35 O LIG 1 8.219 1.787 -0.952 0.00 0.00 -0.374 OA ATOM 36 C LIG 1 6.898 1.915 -1.495 0.00 0.00 +0.175 C ATOM 37 C LIG 1 5.821 1.336 -0.567 0.00 0.00 +0.113 C ATOM 38 N LIG 1 5.981 -0.124 -0.377 0.00 0.00 -0.294 NA ATOM 39 C LIG 1 7.407 -0.509 -0.477 0.00 0.00 +0.116 C ENDBRANCH 32 38 ENDBRANCH 1 32 TORSDOF 6