REMARK Name = BDB026207 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.453 -0.656 -0.365 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.577 0.243 0.014 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.897 -0.200 0.155 0.00 0.00 +0.036 A ATOM 4 C LIG 1 2.245 -1.536 -0.101 0.00 0.00 +0.022 A ATOM 5 C LIG 1 1.221 -2.404 -0.501 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.500 -3.684 -0.792 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.103 -1.981 -0.628 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.109 -1.605 2.230 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.353 -1.615 0.891 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.266 -1.782 -0.281 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.025 -3.035 -0.191 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.475 -1.719 -1.548 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.378 -1.726 -2.794 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -2.562 -0.460 -1.652 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -1.769 -0.170 -0.445 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -2.541 -0.294 0.809 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.639 -1.989 0.040 0.00 0.00 +0.021 A ATOM 18 C LIG 1 3.980 -3.097 0.833 0.00 0.00 +0.134 A ATOM 19 F LIG 1 3.030 -3.761 1.509 0.00 0.00 -0.205 F ATOM 20 C LIG 1 5.298 -3.525 0.967 0.00 0.00 +0.078 A ATOM 21 C LIG 1 6.310 -2.838 0.309 0.00 0.00 +0.138 A ATOM 22 F LIG 1 7.572 -3.254 0.483 0.00 0.00 -0.205 F ATOM 23 C LIG 1 6.016 -1.724 -0.477 0.00 0.00 +0.072 A ATOM 24 C LIG 1 4.682 -1.308 -0.616 0.00 0.00 +0.027 A BRANCH 23 25 ATOM 25 C LIG 1 7.107 -1.006 -1.173 0.00 0.00 +0.244 C ATOM 26 O LIG 1 8.090 -1.581 -1.618 0.00 0.00 -0.270 OA ATOM 27 N LIG 1 6.970 0.350 -1.296 0.00 0.00 -0.325 N ATOM 28 H LIG 1 7.771 0.845 -1.669 0.00 0.00 +0.145 HD ATOM 29 H LIG 1 6.309 0.885 -0.748 0.00 0.00 +0.145 HD ENDBRANCH 23 25 ENDBRANCH 4 17 BRANCH 2 30 ATOM 30 N LIG 1 0.185 1.587 0.207 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -0.814 1.715 0.052 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 0.994 2.678 0.413 0.00 0.00 +0.249 C ATOM 33 O LIG 1 2.216 2.715 0.457 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 0.261 3.959 0.529 0.00 0.00 +0.049 A ATOM 35 C LIG 1 -0.607 4.231 1.601 0.00 0.00 +0.070 A ATOM 36 C LIG 1 -1.271 5.471 1.620 0.00 0.00 +0.051 A ATOM 37 C LIG 1 -1.047 6.406 0.614 0.00 0.00 +0.124 A ATOM 38 F LIG 1 -1.687 7.581 0.655 0.00 0.00 -0.205 F ATOM 39 C LIG 1 -0.167 6.143 -0.428 0.00 0.00 +0.039 A ATOM 40 C LIG 1 0.494 4.917 -0.471 0.00 0.00 +0.016 A BRANCH 35 41 ATOM 41 C LIG 1 -0.837 3.238 2.706 0.00 0.00 +0.418 C ATOM 42 F LIG 1 0.297 2.644 3.158 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -1.422 3.793 3.805 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -1.673 2.235 2.321 0.00 0.00 -0.166 F ENDBRANCH 35 41 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 6