REMARK Name = BDB025846 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.688 -0.509 -0.184 0.00 0.00 +0.015 A ATOM 2 C LIG 1 1.276 -1.841 -0.018 0.00 0.00 +0.133 A ATOM 3 F LIG 1 2.178 -2.827 0.119 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.072 -2.202 -0.005 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.057 -1.230 -0.178 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -0.661 0.116 -0.358 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.691 0.467 -0.358 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -2.439 -1.521 -0.170 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -2.938 -1.943 1.150 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -4.499 -1.899 1.169 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -5.004 -2.719 2.365 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -5.128 -2.220 -0.133 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -6.534 -2.576 -0.100 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -4.298 -3.018 -1.049 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -4.173 -4.495 -0.643 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -2.883 -2.389 -1.286 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 20 ATOM 17 N LIG 1 5.776 0.952 -0.077 0.00 0.00 -0.296 NA ATOM 18 C LIG 1 5.087 0.974 -1.374 0.00 0.00 +0.089 C ATOM 19 C LIG 1 3.561 0.951 -1.176 0.00 0.00 +0.051 C ATOM 20 C LIG 1 3.119 -0.119 -0.203 0.00 0.00 -0.039 C ATOM 21 C LIG 1 4.027 -0.673 0.623 0.00 0.00 -0.007 C ATOM 22 C LIG 1 5.483 -0.292 0.645 0.00 0.00 +0.112 C BRANCH 17 23 ATOM 23 C LIG 1 7.208 1.302 -0.174 0.00 0.00 +0.054 C ATOM 24 C LIG 1 8.073 0.260 -0.900 0.00 0.00 +0.024 C BRANCH 23 26 ATOM 25 C LIG 1 9.143 2.296 1.190 0.00 0.00 +0.005 C ATOM 26 C LIG 1 7.773 1.631 1.228 0.00 0.00 +0.015 C ENDBRANCH 23 26 ENDBRANCH 17 23 ENDBRANCH 1 20 BRANCH 6 27 ATOM 27 N LIG 1 -1.723 1.030 -0.521 0.00 0.00 -0.280 N ATOM 28 H LIG 1 -2.629 0.561 -0.467 0.00 0.00 +0.155 HD ATOM 29 C LIG 1 -1.662 2.376 -0.764 0.00 0.00 +0.250 C ATOM 30 O LIG 1 -0.664 3.063 -0.936 0.00 0.00 -0.270 OA BRANCH 29 31 ATOM 31 C LIG 1 -3.015 2.990 -0.874 0.00 0.00 +0.065 A ATOM 32 C LIG 1 -3.936 3.135 0.249 0.00 0.00 +0.073 A ATOM 33 C LIG 1 -5.141 3.703 0.040 0.00 0.00 +0.083 A ATOM 34 C LIG 1 -5.532 4.177 -1.310 0.00 0.00 +0.249 A ATOM 35 O LIG 1 -6.629 4.682 -1.512 0.00 0.00 -0.268 OA ATOM 36 N LIG 1 -4.590 4.015 -2.295 0.00 0.00 -0.328 N ATOM 37 H LIG 1 -4.849 4.353 -3.215 0.00 0.00 +0.168 HD ATOM 38 C LIG 1 -3.359 3.442 -2.091 0.00 0.00 +0.099 A BRANCH 32 39 ATOM 39 C LIG 1 -3.498 2.688 1.609 0.00 0.00 +0.418 C ATOM 40 F LIG 1 -4.369 3.073 2.580 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -3.419 1.336 1.691 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -2.289 3.186 1.960 0.00 0.00 -0.166 F ENDBRANCH 32 39 ENDBRANCH 29 31 ENDBRANCH 6 27 TORSDOF 7