REMARK Name = BDB019884 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.043 -1.008 -0.013 0.00 0.00 +0.126 A ATOM 2 N LIG 1 0.335 0.263 0.295 0.00 0.00 -0.242 NA ATOM 3 C LIG 1 1.546 0.674 -0.137 0.00 0.00 +0.073 A ATOM 4 C LIG 1 2.388 -0.157 -0.876 0.00 0.00 +0.033 A ATOM 5 C LIG 1 1.991 -1.468 -1.179 0.00 0.00 -0.023 A ATOM 6 C LIG 1 0.740 -1.898 -0.733 0.00 0.00 +0.038 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 1.917 2.050 0.246 0.00 0.00 +0.012 A ATOM 8 C LIG 1 1.024 3.145 0.117 0.00 0.00 +0.067 A ATOM 9 C LIG 1 1.433 4.428 0.539 0.00 0.00 +0.051 A ATOM 10 C LIG 1 2.703 4.628 1.063 0.00 0.00 +0.124 A ATOM 11 F LIG 1 3.070 5.854 1.453 0.00 0.00 -0.205 F ATOM 12 C LIG 1 3.592 3.574 1.188 0.00 0.00 +0.039 A ATOM 13 C LIG 1 3.201 2.296 0.785 0.00 0.00 +0.013 A BRANCH 8 14 ATOM 14 C LIG 1 -0.368 2.987 -0.457 0.00 0.00 +0.418 C ATOM 15 F LIG 1 -0.412 2.242 -1.596 0.00 0.00 -0.166 F ATOM 16 F LIG 1 -1.254 2.430 0.417 0.00 0.00 -0.166 F ATOM 17 F LIG 1 -0.928 4.186 -0.805 0.00 0.00 -0.166 F ENDBRANCH 8 14 ENDBRANCH 3 7 BRANCH 1 20 ATOM 18 N LIG 1 -2.103 -0.426 1.107 0.00 0.00 -0.303 N ATOM 19 H LIG 1 -1.689 0.500 1.061 0.00 0.00 +0.150 HD ATOM 20 C LIG 1 -1.404 -1.421 0.459 0.00 0.00 +0.263 C ATOM 21 O LIG 1 -1.832 -2.551 0.253 0.00 0.00 -0.269 OA BRANCH 18 22 ATOM 22 C LIG 1 -3.510 -0.544 1.403 0.00 0.00 +0.107 C BRANCH 22 29 ATOM 23 C LIG 1 -6.471 -1.529 -2.574 0.00 0.00 +0.047 C ATOM 24 C LIG 1 -5.772 -0.541 -1.692 0.00 0.00 -0.015 A ATOM 25 C LIG 1 -5.809 0.822 -1.992 0.00 0.00 +0.126 A ATOM 26 F LIG 1 -6.503 1.254 -3.055 0.00 0.00 -0.205 F ATOM 27 C LIG 1 -5.131 1.752 -1.212 0.00 0.00 +0.039 A ATOM 28 C LIG 1 -4.393 1.322 -0.108 0.00 0.00 +0.008 A ATOM 29 C LIG 1 -4.333 -0.042 0.224 0.00 0.00 -0.027 A ATOM 30 C LIG 1 -5.018 -0.966 -0.590 0.00 0.00 +0.011 A ENDBRANCH 22 29 BRANCH 22 31 ATOM 31 C LIG 1 -3.899 0.177 2.675 0.00 0.00 +0.014 C ATOM 32 C LIG 1 -3.054 0.055 3.924 0.00 0.00 +0.006 C ATOM 33 C LIG 1 -3.179 1.386 3.236 0.00 0.00 +0.006 C ENDBRANCH 22 31 ENDBRANCH 18 22 ENDBRANCH 1 20 BRANCH 5 34 ATOM 34 C LIG 1 2.895 -2.395 -1.959 0.00 0.00 +0.160 C BRANCH 34 35 ATOM 35 N LIG 1 4.108 -2.680 -1.223 0.00 0.00 -0.313 N ATOM 36 C LIG 1 5.331 -2.011 -1.366 0.00 0.00 +0.204 A ATOM 37 N LIG 1 5.682 -1.103 -2.204 0.00 0.00 -0.268 NA ATOM 38 H LIG 1 4.918 -0.907 -2.848 0.00 0.00 +0.190 HD ATOM 39 N LIG 1 6.135 -2.551 -0.359 0.00 0.00 -0.320 N ATOM 40 C LIG 1 7.513 -2.179 -0.166 0.00 0.00 +0.152 C ATOM 41 C LIG 1 5.431 -3.508 0.352 0.00 0.00 +0.106 A ATOM 42 C LIG 1 4.197 -3.583 -0.164 0.00 0.00 +0.107 A ENDBRANCH 34 35 ENDBRANCH 5 34 TORSDOF 8