REMARK Name = BDB065053 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.001 3.292 -1.086 0.00 0.00 -0.288 N ATOM 2 C LIG 1 2.597 2.016 -1.282 0.00 0.00 +0.148 A ATOM 3 C LIG 1 3.239 1.761 -2.483 0.00 0.00 +0.036 A ATOM 4 C LIG 1 3.779 0.500 -2.616 0.00 0.00 +0.124 A ATOM 5 N LIG 1 3.693 -0.452 -1.669 0.00 0.00 -0.235 NA ATOM 6 C LIG 1 3.052 -0.117 -0.534 0.00 0.00 +0.165 A ATOM 7 C LIG 1 3.321 2.770 -3.526 0.00 0.00 +0.018 A ATOM 8 C LIG 1 2.752 3.961 -3.319 0.00 0.00 +0.071 A ATOM 9 N LIG 1 2.506 1.092 -0.303 0.00 0.00 -0.209 NA ATOM 10 C LIG 1 2.042 4.280 -2.054 0.00 0.00 +0.253 A ATOM 11 O LIG 1 1.535 5.393 -1.941 0.00 0.00 -0.268 OA ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 2.867 -1.155 0.496 0.00 0.00 +0.061 A ATOM 13 C LIG 1 3.789 -2.198 0.719 0.00 0.00 +0.141 A ATOM 14 C LIG 1 3.584 -3.150 1.729 0.00 0.00 +0.047 A ATOM 15 C LIG 1 2.432 -3.107 2.509 0.00 0.00 +0.004 A ATOM 16 C LIG 1 1.492 -2.105 2.296 0.00 0.00 +0.001 A ATOM 17 C LIG 1 1.712 -1.142 1.307 0.00 0.00 +0.015 A BRANCH 13 18 ATOM 18 O LIG 1 4.964 -2.238 0.013 0.00 0.00 -0.405 OA BRANCH 18 19 ATOM 19 C LIG 1 4.972 -3.308 -0.928 0.00 0.00 +0.575 C ATOM 20 F LIG 1 3.786 -3.458 -1.557 0.00 0.00 -0.133 F ATOM 21 F LIG 1 5.922 -3.066 -1.859 0.00 0.00 -0.133 F ATOM 22 F LIG 1 5.288 -4.468 -0.307 0.00 0.00 -0.133 F ENDBRANCH 18 19 ENDBRANCH 13 18 ENDBRANCH 6 12 BRANCH 1 23 ATOM 23 C LIG 1 1.342 3.571 0.188 0.00 0.00 +0.162 C BRANCH 23 27 ATOM 24 C LIG 1 -2.316 1.349 0.855 0.00 0.00 +0.017 A ATOM 25 C LIG 1 -1.409 1.557 1.897 0.00 0.00 +0.012 A ATOM 26 C LIG 1 -0.237 2.282 1.675 0.00 0.00 +0.006 A ATOM 27 C LIG 1 0.047 2.814 0.408 0.00 0.00 -0.028 A ATOM 28 C LIG 1 -0.900 2.661 -0.615 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -2.070 1.928 -0.395 0.00 0.00 +0.012 A BRANCH 24 31 ATOM 30 N LIG 1 -3.707 -0.728 0.541 0.00 0.00 -0.327 N ATOM 31 C LIG 1 -3.501 0.527 1.079 0.00 0.00 +0.142 A ATOM 32 N LIG 1 -4.511 0.858 1.861 0.00 0.00 -0.224 NA ATOM 33 C LIG 1 -5.429 -0.179 1.798 0.00 0.00 +0.162 A ATOM 34 C LIG 1 -4.933 -1.169 0.970 0.00 0.00 +0.120 A BRANCH 33 35 ATOM 35 C LIG 1 -6.729 -0.148 2.548 0.00 0.00 +0.436 C ATOM 36 F LIG 1 -7.431 -1.306 2.389 0.00 0.00 -0.164 F ATOM 37 F LIG 1 -6.554 0.011 3.886 0.00 0.00 -0.164 F ATOM 38 F LIG 1 -7.546 0.854 2.129 0.00 0.00 -0.164 F ENDBRANCH 33 35 BRANCH 30 40 ATOM 39 C LIG 1 -2.381 -2.812 0.353 0.00 0.00 +0.030 C ATOM 40 C LIG 1 -2.782 -1.487 -0.299 0.00 0.00 +0.083 C ATOM 41 C LIG 1 -3.352 -1.704 -1.700 0.00 0.00 +0.030 C ENDBRANCH 30 40 ENDBRANCH 24 31 ENDBRANCH 23 27 ENDBRANCH 1 23 TORSDOF 8