REMARK Name = BDB025956 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.124 -0.920 0.010 0.00 0.00 +0.015 A ATOM 2 C LIG 1 0.549 -2.133 -0.391 0.00 0.00 +0.133 A ATOM 3 F LIG 1 1.324 -3.178 -0.722 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.832 -2.292 -0.489 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.684 -1.227 -0.186 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.115 0.005 0.222 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.272 0.153 0.317 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -3.090 -1.315 -0.296 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -3.572 -0.998 -1.666 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -4.920 -1.711 -2.017 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -5.497 -1.039 -3.271 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -5.867 -1.711 -0.875 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -7.149 -2.347 -1.181 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -5.259 -2.317 0.345 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -5.628 -1.426 1.538 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -3.713 -2.513 0.284 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 20 ATOM 17 N LIG 1 5.353 -0.362 0.527 0.00 0.00 -0.296 N ATOM 18 C LIG 1 4.858 -1.732 0.650 0.00 0.00 +0.113 C ATOM 19 C LIG 1 3.359 -1.725 0.981 0.00 0.00 +0.054 C ATOM 20 C LIG 1 2.586 -0.756 0.122 0.00 0.00 -0.038 C ATOM 21 C LIG 1 3.225 0.229 -0.535 0.00 0.00 -0.004 C ATOM 22 C LIG 1 4.708 0.482 -0.474 0.00 0.00 +0.135 C BRANCH 17 26 ATOM 23 C LIG 1 9.223 2.282 -0.467 0.00 0.00 +0.066 C ATOM 24 C LIG 1 8.640 1.014 0.076 0.00 0.00 +0.044 A ATOM 25 N LIG 1 7.298 0.886 0.041 0.00 0.00 -0.220 NA ATOM 26 C LIG 1 6.745 -0.239 0.529 0.00 0.00 +0.219 A ATOM 27 N LIG 1 7.489 -1.235 1.042 0.00 0.00 -0.220 NA ATOM 28 C LIG 1 8.830 -1.092 1.068 0.00 0.00 +0.044 A ATOM 29 C LIG 1 9.628 -2.219 1.648 0.00 0.00 +0.066 C ATOM 30 C LIG 1 9.460 0.034 0.589 0.00 0.00 +0.046 A ENDBRANCH 17 26 ENDBRANCH 1 20 BRANCH 6 31 ATOM 31 N LIG 1 -2.042 1.016 0.548 0.00 0.00 -0.280 N ATOM 32 H LIG 1 -3.004 0.692 0.455 0.00 0.00 +0.155 HD ATOM 33 C LIG 1 -1.799 2.310 0.927 0.00 0.00 +0.250 C ATOM 34 O LIG 1 -0.719 2.877 1.011 0.00 0.00 -0.270 OA BRANCH 33 35 ATOM 35 C LIG 1 -3.054 3.063 1.225 0.00 0.00 +0.065 A ATOM 36 C LIG 1 -3.445 4.253 0.476 0.00 0.00 +0.073 A ATOM 37 C LIG 1 -4.585 4.893 0.807 0.00 0.00 +0.083 A ATOM 38 C LIG 1 -5.430 4.407 1.924 0.00 0.00 +0.249 A ATOM 39 O LIG 1 -6.466 4.979 2.236 0.00 0.00 -0.268 OA ATOM 40 N LIG 1 -4.976 3.284 2.570 0.00 0.00 -0.328 N ATOM 41 H LIG 1 -5.550 2.959 3.340 0.00 0.00 +0.168 HD ATOM 42 C LIG 1 -3.817 2.627 2.241 0.00 0.00 +0.099 A BRANCH 36 43 ATOM 43 C LIG 1 -2.584 4.704 -0.665 0.00 0.00 +0.418 C ATOM 44 F LIG 1 -2.294 3.689 -1.519 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -3.206 5.654 -1.417 0.00 0.00 -0.166 F ATOM 46 F LIG 1 -1.417 5.254 -0.257 0.00 0.00 -0.166 F ENDBRANCH 36 43 ENDBRANCH 33 35 ENDBRANCH 6 31 TORSDOF 6