REMARK Name = BDB026324 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.629 -1.172 0.318 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.939 0.063 0.288 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.433 0.103 0.024 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.158 -1.077 -0.224 0.00 0.00 +0.019 A ATOM 5 C LIG 1 0.452 -2.290 -0.193 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.089 -3.447 -0.435 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.916 -2.346 0.071 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -5.524 -0.573 2.243 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.935 -1.964 1.972 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.659 -2.549 0.811 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.301 -3.810 1.188 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.785 -2.701 -0.384 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -5.624 -2.897 -1.654 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.849 -1.476 -0.605 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -3.018 -1.159 0.585 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.392 -1.895 1.809 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.604 -1.028 -0.508 0.00 0.00 -0.010 A ATOM 18 C LIG 1 3.510 -1.861 0.171 0.00 0.00 +0.048 A ATOM 19 C LIG 1 4.879 -1.803 -0.097 0.00 0.00 +0.139 A ATOM 20 F LIG 1 5.703 -2.601 0.597 0.00 0.00 -0.205 F ATOM 21 C LIG 1 5.375 -0.911 -1.038 0.00 0.00 +0.107 A ATOM 22 C LIG 1 4.494 -0.090 -1.728 0.00 0.00 +0.139 A ATOM 23 F LIG 1 4.942 0.772 -2.653 0.00 0.00 -0.205 F ATOM 24 C LIG 1 3.124 -0.138 -1.466 0.00 0.00 +0.048 A BRANCH 21 25 ATOM 25 C LIG 1 6.809 -0.887 -1.337 0.00 0.00 +0.252 C ATOM 26 N LIG 1 7.556 0.252 -1.026 0.00 0.00 -0.293 N ATOM 27 C LIG 1 7.026 1.370 -0.249 0.00 0.00 +0.133 C ATOM 28 O LIG 1 7.291 -1.885 -1.869 0.00 0.00 -0.270 OA BRANCH 26 29 ATOM 29 C LIG 1 8.995 0.289 -1.471 0.00 0.00 +0.127 C ATOM 30 C LIG 1 10.022 0.105 -0.347 0.00 0.00 +0.184 C ATOM 31 O LIG 1 10.420 1.499 -0.428 0.00 0.00 -0.376 OA ATOM 32 C LIG 1 9.665 1.656 -1.656 0.00 0.00 +0.184 C ENDBRANCH 26 29 ENDBRANCH 21 25 ENDBRANCH 4 17 BRANCH 2 33 ATOM 33 N LIG 1 -1.732 1.202 0.536 0.00 0.00 -0.280 N ATOM 34 H LIG 1 -2.710 0.953 0.686 0.00 0.00 +0.155 HD ATOM 35 C LIG 1 -1.342 2.514 0.597 0.00 0.00 +0.250 C ATOM 36 O LIG 1 -0.210 2.965 0.490 0.00 0.00 -0.270 OA BRANCH 35 37 ATOM 37 C LIG 1 -2.485 3.430 0.875 0.00 0.00 +0.065 A ATOM 38 C LIG 1 -3.537 3.728 -0.091 0.00 0.00 +0.073 A ATOM 39 C LIG 1 -4.528 4.572 0.258 0.00 0.00 +0.083 A ATOM 40 C LIG 1 -4.555 5.193 1.606 0.00 0.00 +0.249 A ATOM 41 O LIG 1 -5.458 5.949 1.937 0.00 0.00 -0.268 OA ATOM 42 N LIG 1 -3.511 4.865 2.434 0.00 0.00 -0.328 N ATOM 43 H LIG 1 -3.519 5.304 3.348 0.00 0.00 +0.168 HD ATOM 44 C LIG 1 -2.494 4.011 2.085 0.00 0.00 +0.099 A BRANCH 38 45 ATOM 45 C LIG 1 -3.461 3.115 -1.455 0.00 0.00 +0.418 C ATOM 46 F LIG 1 -4.394 3.624 -2.301 0.00 0.00 -0.166 F ATOM 47 F LIG 1 -3.679 1.777 -1.411 0.00 0.00 -0.166 F ATOM 48 F LIG 1 -2.258 3.308 -2.047 0.00 0.00 -0.166 F ENDBRANCH 38 45 ENDBRANCH 35 37 ENDBRANCH 2 33 TORSDOF 7