REMARK Name = BDB035285 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.569 -1.955 -0.043 0.00 0.00 -0.012 A ATOM 2 C LIG 1 2.322 -1.422 0.308 0.00 0.00 +0.055 A ATOM 3 C LIG 1 1.483 -0.887 -0.665 0.00 0.00 +0.141 A ATOM 4 N LIG 1 1.850 -0.916 -1.964 0.00 0.00 -0.234 NA ATOM 5 C LIG 1 3.033 -1.454 -2.345 0.00 0.00 +0.047 A ATOM 6 C LIG 1 3.911 -1.967 -1.397 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 0.243 -0.252 -0.302 0.00 0.00 -0.266 N ATOM 8 C LIG 1 -0.781 -0.162 -1.293 0.00 0.00 +0.281 A ATOM 9 O LIG 1 -0.772 -0.653 -2.418 0.00 0.00 -0.265 OA ATOM 10 C LIG 1 -1.955 0.555 -0.842 0.00 0.00 +0.113 A ATOM 11 C LIG 1 -2.137 1.083 0.412 0.00 0.00 +0.010 A ATOM 12 C LIG 1 -3.404 1.700 0.448 0.00 0.00 +0.033 A ATOM 13 C LIG 1 -3.985 1.514 -0.799 0.00 0.00 +0.031 A ATOM 14 C LIG 1 -1.086 0.941 1.368 0.00 0.00 -0.018 A ATOM 15 N LIG 1 -3.080 0.823 -1.575 0.00 0.00 -0.353 N ATOM 16 H LIG 1 -3.212 0.536 -2.537 0.00 0.00 +0.166 HD ATOM 17 C LIG 1 0.044 0.308 0.979 0.00 0.00 +0.100 A BRANCH 14 18 ATOM 18 C LIG 1 -1.276 1.563 2.693 0.00 0.00 +0.021 C ATOM 19 C LIG 1 -2.318 1.009 3.635 0.00 0.00 +0.009 C ATOM 20 C LIG 1 -0.865 0.823 3.945 0.00 0.00 +0.009 C ENDBRANCH 14 18 BRANCH 13 21 ATOM 21 C LIG 1 -5.304 1.966 -1.337 0.00 0.00 +0.137 C BRANCH 21 22 ATOM 22 N LIG 1 -6.396 0.993 -1.221 0.00 0.00 -0.296 NA ATOM 23 C LIG 1 -6.713 0.637 0.167 0.00 0.00 +0.088 C ATOM 24 C LIG 1 -8.011 -0.188 0.258 0.00 0.00 +0.000 C ATOM 25 C LIG 1 -9.245 0.664 -0.059 0.00 0.00 +0.009 C ATOM 26 C LIG 1 -7.925 -1.419 -0.657 0.00 0.00 +0.006 C ATOM 27 C LIG 1 -7.486 -1.047 -2.071 0.00 0.00 +0.016 C ATOM 28 C LIG 1 -6.215 -0.195 -2.058 0.00 0.00 +0.085 C ENDBRANCH 21 22 ENDBRANCH 13 21 ENDBRANCH 3 7 BRANCH 1 30 ATOM 29 C LIG 1 4.920 -1.721 2.095 0.00 0.00 +0.047 A ATOM 30 C LIG 1 4.492 -2.481 0.982 0.00 0.00 -0.005 A ATOM 31 C LIG 1 4.961 -3.806 0.882 0.00 0.00 +0.012 A ATOM 32 C LIG 1 5.809 -4.347 1.853 0.00 0.00 +0.039 A ATOM 33 C LIG 1 6.193 -3.574 2.941 0.00 0.00 +0.124 A ATOM 34 F LIG 1 7.000 -4.101 3.871 0.00 0.00 -0.205 F ATOM 35 C LIG 1 5.753 -2.267 3.079 0.00 0.00 +0.052 A BRANCH 29 39 ATOM 36 C LIG 1 5.918 2.098 0.354 0.00 0.00 +0.152 C ATOM 37 C LIG 1 4.953 2.046 1.556 0.00 0.00 +0.141 C ATOM 38 N LIG 1 4.966 0.600 1.401 0.00 0.00 -0.292 N ATOM 39 C LIG 1 4.490 -0.322 2.294 0.00 0.00 +0.247 C ATOM 40 O LIG 1 3.726 -0.059 3.217 0.00 0.00 -0.270 OA ATOM 41 C LIG 1 6.175 0.596 0.591 0.00 0.00 +0.141 C BRANCH 36 43 ATOM 42 C LIG 1 6.822 4.351 0.362 0.00 0.00 +0.194 C ATOM 43 O LIG 1 7.078 2.958 0.471 0.00 0.00 -0.377 OA ENDBRANCH 36 43 ENDBRANCH 29 39 ENDBRANCH 1 30 BRANCH 5 44 ATOM 44 C LIG 1 3.399 -1.471 -3.816 0.00 0.00 +0.038 C ATOM 45 C LIG 1 3.484 -0.164 -4.572 0.00 0.00 +0.010 C ATOM 46 C LIG 1 2.374 -1.128 -4.874 0.00 0.00 +0.010 C ENDBRANCH 5 44 TORSDOF 8