REMARK Name = BDB009435 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.915 0.438 0.511 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.918 1.723 1.042 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.044 2.601 0.728 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.926 2.115 1.917 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.953 1.224 2.239 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.986 -0.063 1.677 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.950 -0.455 0.816 0.00 0.00 +0.020 A ENDROOT BRANCH 1 14 ATOM 8 O LIG 1 5.170 1.170 1.677 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 5.149 0.324 0.785 0.00 0.00 +0.247 C ATOM 10 N LIG 1 4.156 -0.653 0.685 0.00 0.00 -0.295 N ATOM 11 C LIG 1 3.655 -1.130 -0.612 0.00 0.00 +0.127 C ATOM 12 C LIG 1 2.461 -0.279 -1.076 0.00 0.00 +0.127 C ATOM 13 N LIG 1 1.432 -0.129 -0.036 0.00 0.00 -0.294 N ATOM 14 C LIG 1 0.113 0.021 -0.454 0.00 0.00 +0.249 C ATOM 15 O LIG 1 -0.273 -0.225 -1.596 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 1.929 0.216 1.311 0.00 0.00 +0.127 C ATOM 17 C LIG 1 3.124 -0.659 1.721 0.00 0.00 +0.127 C BRANCH 9 18 ATOM 18 C LIG 1 6.242 0.341 -0.215 0.00 0.00 +0.039 A ATOM 19 C LIG 1 6.907 -0.848 -0.553 0.00 0.00 +0.043 A ATOM 20 C LIG 1 7.945 -0.778 -1.490 0.00 0.00 +0.089 A ATOM 21 C LIG 1 8.299 0.453 -2.033 0.00 0.00 +0.066 A ATOM 22 N LIG 1 9.333 0.160 -2.886 0.00 0.00 -0.344 N ATOM 23 H LIG 1 9.844 0.823 -3.451 0.00 0.00 +0.167 HD ATOM 24 C LIG 1 9.553 -1.188 -2.835 0.00 0.00 +0.197 A ATOM 25 C LIG 1 7.673 1.654 -1.692 0.00 0.00 +0.028 A ATOM 26 N LIG 1 8.729 -1.782 -2.002 0.00 0.00 -0.236 NA ATOM 27 C LIG 1 6.633 1.572 -0.759 0.00 0.00 +0.015 A ENDBRANCH 9 18 ENDBRANCH 1 14 BRANCH 6 28 ATOM 28 C LIG 1 -4.109 -1.023 2.003 0.00 0.00 +0.094 C BRANCH 28 29 ATOM 29 C LIG 1 -5.494 -0.447 1.734 0.00 0.00 +0.087 A ATOM 30 C LIG 1 -6.014 -0.427 0.322 0.00 0.00 +0.059 A ATOM 31 N LIG 1 -5.241 -0.863 -0.750 0.00 0.00 -0.342 N ATOM 32 H LIG 1 -4.241 -0.735 -0.614 0.00 0.00 +0.146 HD ATOM 33 C LIG 1 -5.662 -0.580 -2.120 0.00 0.00 +0.102 C ATOM 34 C LIG 1 -7.171 -0.775 -2.237 0.00 0.00 +0.023 C ATOM 35 C LIG 1 -7.920 0.069 -1.197 0.00 0.00 +0.044 C ATOM 36 C LIG 1 -7.267 0.027 0.157 0.00 0.00 +0.041 A ATOM 37 C LIG 1 -8.043 0.523 1.315 0.00 0.00 +0.270 A ATOM 38 O LIG 1 -9.184 0.956 1.190 0.00 0.00 -0.266 OA ATOM 39 N LIG 1 -7.406 0.485 2.527 0.00 0.00 -0.243 N ATOM 40 H LIG 1 -7.926 0.816 3.333 0.00 0.00 +0.192 HD ATOM 41 N LIG 1 -6.158 -0.003 2.762 0.00 0.00 -0.174 NA ENDBRANCH 28 29 ENDBRANCH 6 28 TORSDOF 4