REMARK Name = BDB009463 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.351 -0.049 -1.093 0.00 0.00 +0.072 A ATOM 2 C LIG 1 0.505 0.366 -2.412 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.201 -0.198 -3.403 0.00 0.00 -0.205 F ATOM 4 C LIG 1 1.398 1.386 -2.729 0.00 0.00 +0.039 A ATOM 5 C LIG 1 2.157 1.986 -1.721 0.00 0.00 +0.007 A ATOM 6 C LIG 1 2.038 1.559 -0.390 0.00 0.00 -0.041 A ATOM 7 C LIG 1 1.128 0.532 -0.084 0.00 0.00 +0.020 A ENDROOT BRANCH 1 14 ATOM 8 O LIG 1 -5.892 -2.943 0.055 0.00 0.00 -0.267 OA ATOM 9 C LIG 1 -5.774 -1.786 0.463 0.00 0.00 +0.282 C ATOM 10 N LIG 1 -4.496 -1.255 0.748 0.00 0.00 -0.293 N ATOM 11 C LIG 1 -3.364 -2.183 0.625 0.00 0.00 +0.127 C ATOM 12 C LIG 1 -2.772 -2.212 -0.792 0.00 0.00 +0.127 C ATOM 13 N LIG 1 -1.933 -1.032 -1.047 0.00 0.00 -0.296 N ATOM 14 C LIG 1 -0.574 -1.141 -0.738 0.00 0.00 +0.249 C ATOM 15 O LIG 1 -0.098 -2.106 -0.141 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 -2.573 0.214 -1.474 0.00 0.00 +0.109 C ATOM 17 C LIG 1 -4.000 0.456 -0.975 0.00 0.00 +0.038 C ATOM 18 C LIG 1 -4.185 0.160 0.515 0.00 0.00 +0.110 C BRANCH 9 19 ATOM 19 C LIG 1 -6.931 -0.935 0.678 0.00 0.00 +0.189 A ATOM 20 O LIG 1 -7.956 -0.999 -0.231 0.00 0.00 -0.458 OA ATOM 21 C LIG 1 -8.922 -0.141 0.185 0.00 0.00 +0.196 A ATOM 22 C LIG 1 -8.556 0.466 1.363 0.00 0.00 +0.042 A ATOM 23 C LIG 1 -7.278 -0.051 1.688 0.00 0.00 +0.054 A ENDBRANCH 9 19 ENDBRANCH 1 14 BRANCH 6 24 ATOM 24 C LIG 1 2.867 2.193 0.704 0.00 0.00 +0.094 C BRANCH 24 25 ATOM 25 C LIG 1 3.795 1.202 1.398 0.00 0.00 +0.087 A ATOM 26 C LIG 1 5.073 0.786 0.716 0.00 0.00 +0.059 A ATOM 27 N LIG 1 5.478 1.335 -0.497 0.00 0.00 -0.342 N ATOM 28 H LIG 1 5.116 2.262 -0.695 0.00 0.00 +0.146 HD ATOM 29 C LIG 1 6.822 1.093 -1.010 0.00 0.00 +0.102 C ATOM 30 C LIG 1 7.216 -0.358 -0.739 0.00 0.00 +0.023 C ATOM 31 C LIG 1 7.069 -0.700 0.750 0.00 0.00 +0.044 C ATOM 32 C LIG 1 5.795 -0.159 1.341 0.00 0.00 +0.041 A ATOM 33 C LIG 1 5.362 -0.693 2.653 0.00 0.00 +0.270 A ATOM 34 O LIG 1 6.018 -1.539 3.254 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 4.202 -0.169 3.163 0.00 0.00 -0.243 N ATOM 36 H LIG 1 3.880 -0.539 4.052 0.00 0.00 +0.192 HD ATOM 37 N LIG 1 3.403 0.750 2.556 0.00 0.00 -0.174 NA ENDBRANCH 24 25 ENDBRANCH 6 24 TORSDOF 4