REMARK Name = BDB030838 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.353 -0.299 1.256 0.00 0.00 +0.033 A ATOM 2 C LIG 1 -1.666 -0.731 1.012 0.00 0.00 +0.035 A ATOM 3 C LIG 1 -2.493 -0.160 0.014 0.00 0.00 +0.025 A ATOM 4 C LIG 1 -3.868 -0.698 -0.257 0.00 0.00 +0.084 A ATOM 5 N LIG 1 -4.131 -1.955 0.288 0.00 0.00 -0.337 N ATOM 6 H LIG 1 -3.311 -2.539 0.413 0.00 0.00 +0.146 HD ATOM 7 C LIG 1 -5.364 -2.620 0.659 0.00 0.00 +0.077 C ATOM 8 C LIG 1 -6.522 -2.342 -0.288 0.00 0.00 +0.063 C ATOM 9 C LIG 1 -6.802 -0.862 -0.412 0.00 0.00 +0.231 C ATOM 10 O LIG 1 -5.975 -0.292 -1.413 0.00 0.00 -0.485 OA ATOM 11 C LIG 1 -4.687 0.043 -1.042 0.00 0.00 +0.207 A ATOM 12 C LIG 1 -4.197 1.299 -1.711 0.00 0.00 +0.296 A ATOM 13 N LIG 1 -2.852 1.620 -1.610 0.00 0.00 -0.303 N ATOM 14 O LIG 1 -4.988 2.000 -2.349 0.00 0.00 -0.264 OA ATOM 15 C LIG 1 -1.999 0.945 -0.698 0.00 0.00 +0.054 A ATOM 16 C LIG 1 -0.692 1.392 -0.448 0.00 0.00 +0.028 A ATOM 17 C LIG 1 0.115 0.777 0.513 0.00 0.00 +0.025 A ENDROOT BRANCH 7 18 ATOM 18 C LIG 1 -5.741 -2.385 2.109 0.00 0.00 +0.009 C ATOM 19 C LIG 1 -4.726 -2.538 3.219 0.00 0.00 +0.005 C ATOM 20 C LIG 1 -5.308 -1.184 2.920 0.00 0.00 +0.005 C ENDBRANCH 7 18 BRANCH 1 21 ATOM 21 N LIG 1 0.392 -0.906 2.284 0.00 0.00 -0.298 N ATOM 22 H LIG 1 -0.064 -1.713 2.697 0.00 0.00 +0.154 HD BRANCH 21 25 ATOM 23 C LIG 1 3.954 -0.655 1.631 0.00 0.00 +0.220 A ATOM 24 N LIG 1 2.624 -0.591 1.460 0.00 0.00 -0.198 NA ATOM 25 C LIG 1 1.799 -1.000 2.448 0.00 0.00 +0.147 A ATOM 26 C LIG 1 2.308 -1.484 3.644 0.00 0.00 +0.099 A ATOM 27 CL LIG 1 1.320 -2.040 4.936 0.00 0.00 -0.078 Cl ATOM 28 C LIG 1 3.676 -1.518 3.745 0.00 0.00 +0.137 A ATOM 29 N LIG 1 4.506 -1.117 2.764 0.00 0.00 -0.221 NA BRANCH 23 38 ATOM 30 C LIG 1 4.396 2.359 -1.514 0.00 0.00 +0.015 C ATOM 31 C LIG 1 5.012 0.959 -1.541 0.00 0.00 +0.073 C ATOM 32 C LIG 1 6.481 0.999 -1.125 0.00 0.00 +0.257 C ATOM 33 F LIG 1 6.703 1.980 -0.210 0.00 0.00 -0.205 F ATOM 34 F LIG 1 7.222 1.337 -2.216 0.00 0.00 -0.205 F ATOM 35 C LIG 1 6.969 -0.325 -0.564 0.00 0.00 +0.073 C ATOM 36 C LIG 1 8.471 -0.306 -0.282 0.00 0.00 +0.015 C ATOM 37 C LIG 1 6.184 -0.633 0.715 0.00 0.00 +0.117 C ATOM 38 N LIG 1 4.789 -0.206 0.614 0.00 0.00 -0.299 N ATOM 39 C LIG 1 4.202 -0.039 -0.705 0.00 0.00 +0.117 C ENDBRANCH 23 38 ENDBRANCH 21 25 ENDBRANCH 1 21 BRANCH 13 40 ATOM 40 C LIG 1 -2.400 2.792 -2.357 0.00 0.00 +0.153 C BRANCH 40 41 ATOM 41 C LIG 1 -2.603 4.103 -1.596 0.00 0.00 +0.177 C BRANCH 41 42 ATOM 42 O LIG 1 -2.189 5.210 -2.393 0.00 0.00 -0.393 OA ATOM 43 H LIG 1 -2.857 5.316 -3.095 0.00 0.00 +0.209 HD ENDBRANCH 41 42 ENDBRANCH 40 41 ENDBRANCH 13 40 TORSDOF 7