REMARK Name = BDB009376 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.134 -1.021 0.417 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -1.460 -2.183 1.108 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.838 -3.341 0.843 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -2.442 -2.161 2.092 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -3.121 -0.972 2.370 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.834 0.200 1.652 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.826 0.169 0.676 0.00 0.00 +0.020 A ENDROOT BRANCH 1 14 ATOM 8 O LIG 1 5.338 0.137 1.941 0.00 0.00 -0.272 OA ATOM 9 C LIG 1 4.937 0.275 0.782 0.00 0.00 +0.253 C ATOM 10 N LIG 1 3.890 -0.479 0.273 0.00 0.00 -0.296 N ATOM 11 C LIG 1 3.250 -1.491 1.116 0.00 0.00 +0.127 C ATOM 12 C LIG 1 1.718 -1.397 1.045 0.00 0.00 +0.127 C ATOM 13 N LIG 1 1.203 -1.293 -0.331 0.00 0.00 -0.294 N ATOM 14 C LIG 1 -0.123 -1.030 -0.653 0.00 0.00 +0.249 C ATOM 15 O LIG 1 -0.509 -0.749 -1.786 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 2.206 -1.305 -1.398 0.00 0.00 +0.127 C ATOM 17 C LIG 1 3.364 -0.343 -1.094 0.00 0.00 +0.127 C BRANCH 9 18 ATOM 18 C LIG 1 5.567 1.348 -0.123 0.00 0.00 +0.324 C BRANCH 18 19 ATOM 19 O LIG 1 6.103 0.914 -1.360 0.00 0.00 -0.483 OA BRANCH 19 20 ATOM 20 C LIG 1 7.267 0.197 -1.345 0.00 0.00 +0.121 A ATOM 21 C LIG 1 8.028 -0.125 -0.222 0.00 0.00 +0.045 A ATOM 22 C LIG 1 9.201 -0.876 -0.360 0.00 0.00 +0.004 A ATOM 23 C LIG 1 9.618 -1.305 -1.619 0.00 0.00 +0.000 A ATOM 24 C LIG 1 8.864 -0.983 -2.744 0.00 0.00 +0.004 A ATOM 25 C LIG 1 7.695 -0.234 -2.605 0.00 0.00 +0.045 A ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 9 18 ENDBRANCH 1 14 BRANCH 6 26 ATOM 26 C LIG 1 -3.580 1.484 1.937 0.00 0.00 +0.092 C BRANCH 26 27 ATOM 27 C LIG 1 -5.096 1.337 1.848 0.00 0.00 +0.069 A ATOM 28 C LIG 1 -5.757 1.238 0.508 0.00 0.00 -0.016 A ATOM 29 C LIG 1 -4.957 1.322 -0.762 0.00 0.00 +0.037 C ATOM 30 C LIG 1 -5.820 1.550 -2.007 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -7.053 0.656 -1.990 0.00 0.00 +0.005 C ATOM 32 C LIG 1 -7.907 0.926 -0.750 0.00 0.00 +0.041 C ATOM 33 C LIG 1 -7.092 1.076 0.505 0.00 0.00 +0.023 A ATOM 34 C LIG 1 -7.840 1.032 1.787 0.00 0.00 +0.268 A ATOM 35 O LIG 1 -9.060 0.904 1.821 0.00 0.00 -0.266 OA ATOM 36 N LIG 1 -7.088 1.147 2.924 0.00 0.00 -0.243 N ATOM 37 H LIG 1 -7.582 1.119 3.810 0.00 0.00 +0.192 HD ATOM 38 N LIG 1 -5.738 1.292 2.978 0.00 0.00 -0.175 NA ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 6