REMARK Name = BDB009433 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.401 0.116 -0.716 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.090 -0.147 -2.046 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.885 0.527 -2.674 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.779 -1.131 -2.747 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -1.804 -1.843 -2.119 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.158 -1.565 -0.788 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.439 -0.584 -0.087 0.00 0.00 +0.020 A ENDROOT BRANCH 1 14 ATOM 8 O LIG 1 6.488 2.506 0.600 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 5.930 1.418 0.480 0.00 0.00 +0.248 C ATOM 10 N LIG 1 4.543 1.264 0.418 0.00 0.00 -0.294 N ATOM 11 C LIG 1 3.909 0.195 -0.370 0.00 0.00 +0.127 C ATOM 12 C LIG 1 2.466 -0.076 0.075 0.00 0.00 +0.127 C ATOM 13 N LIG 1 1.673 1.156 0.154 0.00 0.00 -0.294 N ATOM 14 C LIG 1 0.286 1.189 0.024 0.00 0.00 +0.249 C ATOM 15 O LIG 1 -0.420 2.078 0.497 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 2.299 2.232 0.929 0.00 0.00 +0.127 C ATOM 17 C LIG 1 3.747 2.495 0.501 0.00 0.00 +0.127 C BRANCH 9 18 ATOM 18 C LIG 1 6.785 0.219 0.426 0.00 0.00 +0.055 A ATOM 19 C LIG 1 6.561 -0.856 1.274 0.00 0.00 +0.123 A ATOM 20 N LIG 1 7.319 -1.980 1.275 0.00 0.00 -0.263 NA ATOM 21 C LIG 1 8.366 -2.004 0.420 0.00 0.00 +0.111 A ATOM 22 C LIG 1 8.688 -0.962 -0.439 0.00 0.00 +0.020 A ATOM 23 C LIG 1 7.883 0.174 -0.430 0.00 0.00 +0.016 A ENDBRANCH 9 18 ENDBRANCH 1 14 BRANCH 6 24 ATOM 24 C LIG 1 -3.267 -2.359 -0.129 0.00 0.00 +0.094 C BRANCH 24 25 ATOM 25 C LIG 1 -4.152 -1.552 0.811 0.00 0.00 +0.087 A ATOM 26 C LIG 1 -5.168 -0.610 0.226 0.00 0.00 +0.059 A ATOM 27 N LIG 1 -5.270 -0.405 -1.147 0.00 0.00 -0.342 N ATOM 28 H LIG 1 -4.388 -0.527 -1.641 0.00 0.00 +0.146 HD ATOM 29 C LIG 1 -6.052 0.719 -1.657 0.00 0.00 +0.102 C ATOM 30 C LIG 1 -7.341 0.847 -0.850 0.00 0.00 +0.023 C ATOM 31 C LIG 1 -7.044 0.967 0.650 0.00 0.00 +0.044 C ATOM 32 C LIG 1 -5.969 0.017 1.102 0.00 0.00 +0.041 A ATOM 33 C LIG 1 -5.798 -0.193 2.557 0.00 0.00 +0.270 A ATOM 34 O LIG 1 -6.514 0.370 3.379 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 -4.789 -1.041 2.928 0.00 0.00 -0.243 N ATOM 36 H LIG 1 -4.658 -1.196 3.923 0.00 0.00 +0.192 HD ATOM 37 N LIG 1 -3.977 -1.737 2.087 0.00 0.00 -0.174 NA ENDBRANCH 24 25 ENDBRANCH 6 24 TORSDOF 4