REMARK Name = BDB040283 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.667 -0.798 0.255 0.00 0.00 -0.032 A ATOM 2 C LIG 1 4.949 0.067 1.341 0.00 0.00 +0.017 A ATOM 3 C LIG 1 3.925 0.676 2.092 0.00 0.00 +0.061 A ATOM 4 C LIG 1 2.613 0.399 1.721 0.00 0.00 -0.006 A ATOM 5 C LIG 1 1.330 0.889 2.308 0.00 0.00 +0.150 C ATOM 6 N LIG 1 0.310 0.254 1.484 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.885 -0.547 0.492 0.00 0.00 +0.251 C ATOM 8 O LIG 1 0.384 -1.235 -0.380 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 2.341 -0.446 0.651 0.00 0.00 +0.043 A ATOM 10 C LIG 1 3.335 -1.053 -0.095 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -1.079 0.463 1.709 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -2.058 -0.136 0.900 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -3.450 0.046 1.092 0.00 0.00 -0.039 A ATOM 14 C LIG 1 -3.825 0.885 2.153 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -2.880 1.497 2.973 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -1.519 1.285 2.753 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -4.532 -0.668 0.134 0.00 0.00 +0.013 C ATOM 18 C LIG 1 -4.207 -2.163 -0.239 0.00 0.00 +0.087 C ATOM 19 C LIG 1 -5.710 -2.479 -0.103 0.00 0.00 +0.251 C ATOM 20 F LIG 1 -6.426 -2.383 -1.249 0.00 0.00 -0.206 F ATOM 21 F LIG 1 -6.016 -3.674 0.446 0.00 0.00 -0.206 F ATOM 22 C LIG 1 -5.811 -1.261 0.833 0.00 0.00 +0.087 C BRANCH 17 23 ATOM 23 C LIG 1 -4.782 0.195 -1.131 0.00 0.00 +0.088 C BRANCH 23 24 ATOM 24 C LIG 1 -5.765 1.298 -0.920 0.00 0.00 +0.134 A ATOM 25 N LIG 1 -6.949 1.444 -1.599 0.00 0.00 -0.320 N ATOM 26 C LIG 1 -7.483 0.602 -2.636 0.00 0.00 +0.151 C ATOM 27 C LIG 1 -7.545 2.558 -1.094 0.00 0.00 +0.224 A ATOM 28 N LIG 1 -6.782 3.078 -0.163 0.00 0.00 -0.138 NA ATOM 29 N LIG 1 -5.659 2.292 -0.061 0.00 0.00 -0.135 NA ENDBRANCH 23 24 ENDBRANCH 17 23 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 30 ATOM 30 C LIG 1 4.228 1.601 3.239 0.00 0.00 +0.418 C ATOM 31 F LIG 1 3.789 2.868 3.008 0.00 0.00 -0.166 F ATOM 32 F LIG 1 3.618 1.205 4.392 0.00 0.00 -0.166 F ATOM 33 F LIG 1 5.552 1.705 3.533 0.00 0.00 -0.166 F ENDBRANCH 3 30 BRANCH 1 34 ATOM 34 C LIG 1 5.801 -1.419 -0.530 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 6.511 -0.394 -1.289 0.00 0.00 -0.310 NA ATOM 36 H LIG 1 5.868 0.043 -1.948 0.00 0.00 +0.122 HD BRANCH 35 38 ATOM 37 C LIG 1 7.311 -1.758 -3.215 0.00 0.00 +0.023 C ATOM 38 C LIG 1 7.686 -0.909 -1.999 0.00 0.00 +0.048 C ATOM 39 C LIG 1 8.523 0.292 -2.444 0.00 0.00 +0.023 C ENDBRANCH 35 38 ENDBRANCH 34 35 ENDBRANCH 1 34 TORSDOF 8