REMARK Name = BDB009964 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.140 -0.897 0.364 0.00 0.00 +0.145 A ATOM 2 N LIG 1 0.911 -0.807 -0.275 0.00 0.00 -0.315 N ATOM 3 C LIG 1 0.103 -1.812 0.214 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.911 -2.463 1.134 0.00 0.00 +0.184 A ATOM 5 N LIG 1 0.540 -3.537 1.849 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 -0.713 -3.922 1.554 0.00 0.00 +0.242 A ATOM 7 N LIG 1 -1.571 -3.358 0.682 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 -1.196 -2.266 -0.013 0.00 0.00 +0.149 A ATOM 9 N LIG 1 2.141 -1.890 1.230 0.00 0.00 -0.208 NA ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 2.650 1.417 2.127 0.00 0.00 +0.044 C ATOM 11 C LIG 1 3.493 1.129 0.912 0.00 0.00 -0.040 A ATOM 12 C LIG 1 3.281 -0.011 0.104 0.00 0.00 +0.023 A ATOM 13 C LIG 1 4.176 -0.300 -0.954 0.00 0.00 -0.040 A ATOM 14 C LIG 1 4.042 -1.548 -1.788 0.00 0.00 +0.044 C ATOM 15 C LIG 1 5.231 0.584 -1.224 0.00 0.00 +0.004 A ATOM 16 C LIG 1 5.420 1.722 -0.444 0.00 0.00 +0.001 A ATOM 17 C LIG 1 4.567 1.985 0.624 0.00 0.00 +0.004 A ENDBRANCH 1 12 BRANCH 6 18 ATOM 18 C LIG 1 -1.189 -5.127 2.321 0.00 0.00 +0.375 C ATOM 19 O LIG 1 -2.290 -5.643 2.233 0.00 0.00 -0.242 OA BRANCH 18 20 ATOM 20 O LIG 1 -0.216 -5.589 3.157 0.00 0.00 -0.475 OA ATOM 21 H LIG 1 0.593 -5.029 3.076 0.00 0.00 +0.296 HD ENDBRANCH 18 20 ENDBRANCH 6 18 BRANCH 8 22 ATOM 22 N LIG 1 -2.077 -1.670 -0.903 0.00 0.00 -0.324 N ATOM 23 H LIG 1 -1.975 -0.668 -0.984 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 -3.483 -2.080 -0.875 0.00 0.00 +0.072 C ATOM 25 C LIG 1 -4.067 -1.813 -2.264 0.00 0.00 +0.028 C BRANCH 24 26 ATOM 26 C LIG 1 -4.176 -1.351 0.254 0.00 0.00 +0.009 C ATOM 27 C LIG 1 -4.376 0.148 0.249 0.00 0.00 +0.005 C ATOM 28 C LIG 1 -5.567 -0.766 0.161 0.00 0.00 +0.005 C ENDBRANCH 24 26 ENDBRANCH 22 24 ENDBRANCH 8 22 BRANCH 2 29 ATOM 29 C LIG 1 0.592 0.139 -1.335 0.00 0.00 +0.159 C BRANCH 29 30 ATOM 30 C LIG 1 0.219 1.507 -0.812 0.00 0.00 -0.028 A ATOM 31 C LIG 1 -0.790 1.692 0.144 0.00 0.00 +0.006 A ATOM 32 C LIG 1 -1.118 2.973 0.597 0.00 0.00 +0.013 A ATOM 33 C LIG 1 -0.453 4.101 0.098 0.00 0.00 +0.055 A ATOM 34 C LIG 1 0.557 3.918 -0.855 0.00 0.00 +0.013 A ATOM 35 C LIG 1 0.884 2.638 -1.309 0.00 0.00 +0.006 A BRANCH 33 36 ATOM 36 C LIG 1 -0.787 5.481 0.610 0.00 0.00 +0.417 C ATOM 37 F LIG 1 -0.579 6.458 -0.316 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -0.038 5.825 1.693 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -2.087 5.606 0.996 0.00 0.00 -0.166 F ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 2 29 TORSDOF 9