REMARK Name = BDB052750 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.677 -3.742 -2.467 0.00 0.00 -0.276 N ATOM 2 C LIG 1 -2.124 -3.768 -2.346 0.00 0.00 +0.068 A ATOM 3 C LIG 1 -2.791 -4.860 -2.918 0.00 0.00 +0.018 A ATOM 4 C LIG 1 -4.147 -4.998 -2.675 0.00 0.00 +0.121 A ATOM 5 N LIG 1 -4.877 -4.129 -1.950 0.00 0.00 -0.254 NA ATOM 6 C LIG 1 -4.280 -3.016 -1.509 0.00 0.00 +0.073 A ATOM 7 C LIG 1 -5.070 -2.096 -0.832 0.00 0.00 +0.029 A ATOM 8 C LIG 1 -4.571 -0.870 -0.381 0.00 0.00 +0.010 A ATOM 9 C LIG 1 -3.252 -0.511 -0.645 0.00 0.00 -0.016 A ATOM 10 C LIG 1 -2.462 -1.440 -1.341 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -2.094 -5.805 -3.777 0.00 0.00 +0.017 A ATOM 12 C LIG 1 -0.789 -5.651 -4.009 0.00 0.00 +0.071 A ATOM 13 C LIG 1 -2.913 -2.739 -1.722 0.00 0.00 +0.025 A ATOM 14 C LIG 1 0.011 -4.605 -3.329 0.00 0.00 +0.256 A ATOM 15 O LIG 1 1.225 -4.609 -3.532 0.00 0.00 -0.267 OA ENDROOT BRANCH 9 16 ATOM 16 C LIG 1 -2.686 0.770 -0.204 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -2.015 1.627 -1.084 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -1.443 2.825 -0.627 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -1.571 3.142 0.741 0.00 0.00 +0.071 A ATOM 20 C LIG 1 -1.006 4.324 1.198 0.00 0.00 +0.028 A ATOM 21 C LIG 1 -0.316 5.188 0.343 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -0.187 4.870 -1.004 0.00 0.00 +0.001 A ATOM 23 N LIG 1 -2.204 2.333 1.605 0.00 0.00 -0.254 NA ATOM 24 C LIG 1 -0.751 3.692 -1.490 0.00 0.00 +0.010 A ATOM 25 C LIG 1 -2.742 1.184 1.124 0.00 0.00 +0.120 A ENDBRANCH 9 16 BRANCH 1 29 ATOM 26 C LIG 1 1.451 -1.475 0.448 0.00 0.00 +0.042 A ATOM 27 C LIG 1 0.467 -2.394 0.855 0.00 0.00 +0.078 A ATOM 28 C LIG 1 -0.202 -3.168 -0.117 0.00 0.00 +0.040 A ATOM 29 C LIG 1 0.093 -3.046 -1.483 0.00 0.00 +0.051 A ATOM 30 C LIG 1 1.144 -2.213 -1.865 0.00 0.00 +0.028 A ATOM 31 C LIG 1 1.799 -1.426 -0.914 0.00 0.00 +0.026 A BRANCH 26 36 ATOM 32 C LIG 1 3.998 3.244 1.839 0.00 0.00 +0.215 C ATOM 33 N LIG 1 3.324 2.042 1.700 0.00 0.00 -0.298 N ATOM 34 C LIG 1 3.943 0.968 0.915 0.00 0.00 +0.126 C ATOM 35 C LIG 1 3.490 -0.435 1.356 0.00 0.00 +0.124 C ATOM 36 N LIG 1 2.014 -0.589 1.380 0.00 0.00 -0.326 N ATOM 37 C LIG 1 1.247 0.683 1.457 0.00 0.00 +0.124 C ATOM 38 C LIG 1 2.001 1.747 2.269 0.00 0.00 +0.126 C ATOM 39 O LIG 1 5.076 3.452 1.281 0.00 0.00 -0.276 OA BRANCH 32 41 ATOM 40 C LIG 1 4.230 5.508 2.938 0.00 0.00 +0.013 C ATOM 41 C LIG 1 3.335 4.301 2.709 0.00 0.00 +0.092 C ENDBRANCH 32 41 ENDBRANCH 26 36 BRANCH 27 42 ATOM 42 C LIG 1 0.085 -2.557 2.306 0.00 0.00 +0.419 C ATOM 43 F LIG 1 -0.672 -1.523 2.777 0.00 0.00 -0.166 F ATOM 44 F LIG 1 1.139 -2.684 3.159 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -0.678 -3.673 2.526 0.00 0.00 -0.166 F ENDBRANCH 27 42 ENDBRANCH 1 29 TORSDOF 5