REMARK Name = BDB036020 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.354 -1.047 1.118 0.00 0.00 -0.032 A ATOM 2 C LIG 1 2.973 -1.571 -0.142 0.00 0.00 +0.017 A ATOM 3 C LIG 1 1.684 -1.371 -0.673 0.00 0.00 +0.061 A ATOM 4 C LIG 1 0.784 -0.641 0.098 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.635 -0.268 -0.185 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -1.030 0.494 0.995 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.018 0.584 1.915 0.00 0.00 +0.251 C ATOM 8 O LIG 1 0.089 1.123 3.005 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.159 -0.136 1.337 0.00 0.00 +0.043 A ATOM 10 C LIG 1 2.422 -0.322 1.872 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.334 1.043 1.139 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.295 0.882 0.125 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -4.617 1.390 0.207 0.00 0.00 -0.032 A ATOM 14 C LIG 1 -4.939 2.087 1.383 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -4.005 2.270 2.402 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.715 1.752 2.278 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.661 1.151 -0.988 0.00 0.00 +0.060 C ATOM 18 C LIG 1 -6.954 2.032 -1.063 0.00 0.00 +0.050 C ATOM 19 C LIG 1 -6.779 2.102 -2.593 0.00 0.00 +0.117 C ATOM 20 C LIG 1 -5.284 1.799 -2.370 0.00 0.00 +0.050 C BRANCH 17 21 ATOM 21 C LIG 1 -5.927 -0.411 -1.134 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -6.749 -1.206 -0.386 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -7.593 -0.836 0.715 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -6.600 -2.467 -0.880 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -5.727 -2.456 -1.860 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -5.297 -1.161 -2.017 0.00 0.00 -0.134 NA ENDBRANCH 17 21 BRANCH 19 27 ATOM 27 O LIG 1 -7.551 1.138 -3.332 0.00 0.00 -0.392 OA ATOM 28 H LIG 1 -6.962 0.813 -4.037 0.00 0.00 +0.210 HD ENDBRANCH 19 27 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 29 ATOM 29 C LIG 1 1.287 -1.925 -2.015 0.00 0.00 +0.418 C ATOM 30 F LIG 1 2.303 -2.538 -2.681 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.817 -0.960 -2.852 0.00 0.00 -0.166 F ATOM 32 F LIG 1 0.292 -2.847 -1.913 0.00 0.00 -0.166 F ENDBRANCH 3 29 BRANCH 1 33 ATOM 33 C LIG 1 4.749 -1.294 1.659 0.00 0.00 +0.119 C BRANCH 33 41 ATOM 34 C LIG 1 8.051 -1.285 -1.279 0.00 0.00 +0.015 C ATOM 35 C LIG 1 8.241 -0.990 0.212 0.00 0.00 +0.069 C ATOM 36 C LIG 1 8.400 0.500 0.510 0.00 0.00 +0.254 C ATOM 37 F LIG 1 8.804 1.167 -0.601 0.00 0.00 -0.205 F ATOM 38 F LIG 1 9.415 0.653 1.412 0.00 0.00 -0.205 F ATOM 39 C LIG 1 7.174 1.175 1.099 0.00 0.00 +0.091 C ATOM 40 C LIG 1 5.896 0.571 0.543 0.00 0.00 +0.090 C ATOM 41 N LIG 1 5.805 -0.888 0.719 0.00 0.00 -0.298 NA ATOM 42 C LIG 1 7.082 -1.535 1.052 0.00 0.00 +0.093 C ENDBRANCH 33 41 ENDBRANCH 1 33 TORSDOF 7