REMARK Name = BDB009883 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.941 -0.702 -0.309 0.00 0.00 +0.144 A ATOM 2 N LIG 1 0.749 -0.321 0.289 0.00 0.00 -0.315 N ATOM 3 C LIG 1 -0.190 -1.301 0.038 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.510 -2.258 -0.676 0.00 0.00 +0.184 A ATOM 5 N LIG 1 -0.011 -3.417 -1.100 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 -1.292 -3.563 -0.738 0.00 0.00 +0.242 A ATOM 7 N LIG 1 -2.050 -2.685 -0.043 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 -1.532 -1.508 0.352 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.803 -1.881 -0.885 0.00 0.00 -0.208 NA ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 5.585 0.058 0.292 0.00 0.00 -0.047 A ATOM 11 C LIG 1 4.355 -0.611 0.217 0.00 0.00 +0.015 A ATOM 12 C LIG 1 3.205 0.037 -0.257 0.00 0.00 +0.018 A ATOM 13 C LIG 1 3.308 1.362 -0.696 0.00 0.00 +0.011 A ATOM 14 C LIG 1 4.529 2.036 -0.630 0.00 0.00 +0.001 A ATOM 15 C LIG 1 5.661 1.389 -0.136 0.00 0.00 +0.003 A BRANCH 10 17 ATOM 16 C LIG 1 7.551 -1.366 -0.340 0.00 0.00 +0.009 C ATOM 17 C LIG 1 6.814 -0.659 0.788 0.00 0.00 +0.032 C ENDBRANCH 10 17 ENDBRANCH 1 12 BRANCH 6 18 ATOM 18 C LIG 1 -1.989 -4.834 -1.147 0.00 0.00 +0.375 C ATOM 19 O LIG 1 -3.151 -5.135 -0.926 0.00 0.00 -0.242 OA BRANCH 18 20 ATOM 20 O LIG 1 -1.194 -5.691 -1.829 0.00 0.00 -0.475 OA ATOM 21 H LIG 1 -1.774 -6.454 -2.022 0.00 0.00 +0.296 HD ENDBRANCH 18 20 ENDBRANCH 6 18 BRANCH 8 22 ATOM 22 N LIG 1 -2.300 -0.579 1.038 0.00 0.00 -0.324 N ATOM 23 H LIG 1 -2.053 0.370 0.786 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 -3.756 -0.730 1.151 0.00 0.00 +0.072 C ATOM 25 C LIG 1 -4.145 -1.909 2.038 0.00 0.00 +0.028 C BRANCH 24 26 ATOM 26 C LIG 1 -4.419 -0.633 -0.203 0.00 0.00 +0.009 C ATOM 27 C LIG 1 -5.913 -0.795 -0.361 0.00 0.00 +0.005 C ATOM 28 C LIG 1 -4.984 -1.817 -0.952 0.00 0.00 +0.005 C ENDBRANCH 24 26 ENDBRANCH 22 24 ENDBRANCH 8 22 BRANCH 2 29 ATOM 29 C LIG 1 0.571 0.822 1.176 0.00 0.00 +0.159 C BRANCH 29 30 ATOM 30 C LIG 1 -0.175 1.991 0.563 0.00 0.00 -0.028 A ATOM 31 C LIG 1 -0.611 3.012 1.423 0.00 0.00 +0.006 A ATOM 32 C LIG 1 -1.310 4.118 0.931 0.00 0.00 +0.013 A ATOM 33 C LIG 1 -1.580 4.238 -0.437 0.00 0.00 +0.055 A ATOM 34 C LIG 1 -1.148 3.222 -1.300 0.00 0.00 +0.013 A ATOM 35 C LIG 1 -0.448 2.116 -0.807 0.00 0.00 +0.006 A BRANCH 33 36 ATOM 36 C LIG 1 -2.355 5.421 -0.968 0.00 0.00 +0.417 C ATOM 37 F LIG 1 -3.697 5.191 -0.986 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -2.177 6.551 -0.229 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -2.014 5.753 -2.244 0.00 0.00 -0.166 F ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 2 29 TORSDOF 10