REMARK Name = BDB009423 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.477 1.661 1.816 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -1.058 1.099 2.949 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.367 0.990 4.095 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -2.369 0.631 2.907 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -3.113 0.749 1.728 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.549 1.345 0.588 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.223 1.802 0.639 0.00 0.00 +0.020 A ENDROOT BRANCH 1 14 ATOM 8 O LIG 1 5.259 -2.475 1.375 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 5.258 -1.288 1.065 0.00 0.00 +0.248 C ATOM 10 N LIG 1 4.295 -0.373 1.473 0.00 0.00 -0.294 N ATOM 11 C LIG 1 4.278 1.052 1.103 0.00 0.00 +0.127 C ATOM 12 C LIG 1 3.326 1.883 1.972 0.00 0.00 +0.127 C ATOM 13 N LIG 1 1.970 1.329 1.990 0.00 0.00 -0.294 N ATOM 14 C LIG 1 0.892 2.201 1.856 0.00 0.00 +0.249 C ATOM 15 O LIG 1 1.015 3.417 1.719 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 1.861 -0.138 1.973 0.00 0.00 +0.127 C ATOM 17 C LIG 1 3.183 -0.847 2.302 0.00 0.00 +0.127 C BRANCH 9 18 ATOM 18 C LIG 1 6.337 -0.821 0.184 0.00 0.00 +0.055 A ATOM 19 C LIG 1 6.256 -1.062 -1.181 0.00 0.00 +0.125 A ATOM 20 N LIG 1 7.207 -0.670 -2.064 0.00 0.00 -0.243 NA ATOM 21 C LIG 1 8.286 -0.045 -1.541 0.00 0.00 +0.129 A ATOM 22 CL LIG 1 9.466 0.432 -2.693 0.00 0.00 -0.062 Cl ATOM 23 C LIG 1 8.467 0.216 -0.189 0.00 0.00 +0.041 A ATOM 24 C LIG 1 7.471 -0.190 0.697 0.00 0.00 +0.017 A ENDBRANCH 9 18 ENDBRANCH 1 14 BRANCH 6 25 ATOM 25 C LIG 1 -3.360 1.489 -0.682 0.00 0.00 +0.094 C BRANCH 25 26 ATOM 26 C LIG 1 -3.473 0.182 -1.461 0.00 0.00 +0.087 A ATOM 27 C LIG 1 -4.839 -0.360 -1.794 0.00 0.00 +0.059 A ATOM 28 N LIG 1 -6.005 0.345 -1.503 0.00 0.00 -0.342 N ATOM 29 H LIG 1 -5.894 1.356 -1.531 0.00 0.00 +0.146 HD ATOM 30 C LIG 1 -7.284 -0.089 -2.063 0.00 0.00 +0.102 C ATOM 31 C LIG 1 -7.367 -1.612 -2.028 0.00 0.00 +0.023 C ATOM 32 C LIG 1 -6.165 -2.242 -2.740 0.00 0.00 +0.044 C ATOM 33 C LIG 1 -4.869 -1.563 -2.389 0.00 0.00 +0.041 A ATOM 34 C LIG 1 -3.612 -2.252 -2.756 0.00 0.00 +0.270 A ATOM 35 O LIG 1 -3.614 -3.347 -3.312 0.00 0.00 -0.266 OA ATOM 36 N LIG 1 -2.453 -1.585 -2.463 0.00 0.00 -0.243 N ATOM 37 H LIG 1 -1.581 -2.042 -2.707 0.00 0.00 +0.192 HD ATOM 38 N LIG 1 -2.359 -0.398 -1.807 0.00 0.00 -0.174 NA ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 4