REMARK Name = BDB009491 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.877 -0.339 0.723 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.745 0.238 1.986 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.293 1.037 2.281 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.681 -0.006 2.988 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.774 -0.835 2.735 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.944 -1.417 1.471 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.980 -1.175 0.477 0.00 0.00 +0.020 A ENDROOT BRANCH 1 9 ATOM 8 O LIG 1 -0.044 -0.687 -1.454 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 0.102 -0.114 -0.379 0.00 0.00 +0.247 C ATOM 10 N LIG 1 1.153 0.746 -0.135 0.00 0.00 -0.308 N ATOM 11 H LIG 1 1.276 1.108 0.805 0.00 0.00 +0.149 HD BRANCH 10 12 ATOM 12 C LIG 1 2.215 0.967 -1.112 0.00 0.00 +0.076 C ATOM 13 C LIG 1 2.878 2.329 -0.871 0.00 0.00 +0.041 C ATOM 14 C LIG 1 4.318 2.340 -1.361 0.00 0.00 +0.110 C ATOM 15 N LIG 1 5.123 1.336 -0.669 0.00 0.00 -0.297 N ATOM 16 C LIG 1 6.507 1.511 -0.662 0.00 0.00 +0.248 C ATOM 17 O LIG 1 7.075 2.407 -1.282 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 4.441 0.105 -0.249 0.00 0.00 +0.110 C ATOM 19 C LIG 1 3.224 -0.193 -1.116 0.00 0.00 +0.041 C BRANCH 16 20 ATOM 20 C LIG 1 7.346 0.589 0.123 0.00 0.00 +0.055 A ATOM 21 C LIG 1 7.104 0.366 1.470 0.00 0.00 +0.123 A ATOM 22 N LIG 1 7.850 -0.463 2.240 0.00 0.00 -0.263 NA ATOM 23 C LIG 1 8.902 -1.064 1.638 0.00 0.00 +0.111 A ATOM 24 C LIG 1 9.242 -0.875 0.306 0.00 0.00 +0.020 A ATOM 25 C LIG 1 8.451 -0.027 -0.465 0.00 0.00 +0.016 A ENDBRANCH 16 20 ENDBRANCH 10 12 ENDBRANCH 1 9 BRANCH 6 26 ATOM 26 C LIG 1 -4.120 -2.336 1.214 0.00 0.00 +0.094 C BRANCH 26 27 ATOM 27 C LIG 1 -4.844 -2.070 -0.099 0.00 0.00 +0.087 A ATOM 28 C LIG 1 -5.766 -0.884 -0.197 0.00 0.00 +0.059 A ATOM 29 N LIG 1 -5.922 0.010 0.858 0.00 0.00 -0.342 N ATOM 30 H LIG 1 -5.098 0.091 1.448 0.00 0.00 +0.146 HD ATOM 31 C LIG 1 -6.596 1.287 0.636 0.00 0.00 +0.102 C ATOM 32 C LIG 1 -7.807 1.072 -0.266 0.00 0.00 +0.023 C ATOM 33 C LIG 1 -7.405 0.379 -1.575 0.00 0.00 +0.044 C ATOM 34 C LIG 1 -6.430 -0.744 -1.355 0.00 0.00 +0.041 A ATOM 35 C LIG 1 -6.204 -1.690 -2.470 0.00 0.00 +0.270 A ATOM 36 O LIG 1 -6.789 -1.575 -3.542 0.00 0.00 -0.266 OA ATOM 37 N LIG 1 -5.296 -2.689 -2.236 0.00 0.00 -0.243 N ATOM 38 H LIG 1 -5.123 -3.345 -2.990 0.00 0.00 +0.192 HD ATOM 39 N LIG 1 -4.628 -2.907 -1.071 0.00 0.00 -0.174 NA ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 5