REMARK Name = BDB055095 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.383 0.521 -2.615 0.00 0.00 +0.077 A ATOM 2 C LIG 1 -0.995 0.682 -2.598 0.00 0.00 +0.108 A ATOM 3 C LIG 1 -0.265 1.201 -3.652 0.00 0.00 +0.180 A ATOM 4 N LIG 1 1.070 1.242 -3.362 0.00 0.00 -0.208 NA ATOM 5 C LIG 1 1.189 0.760 -2.136 0.00 0.00 +0.144 A ATOM 6 N LIG 1 -0.825 1.606 -4.812 0.00 0.00 -0.233 NA ATOM 7 C LIG 1 -2.170 1.460 -4.845 0.00 0.00 +0.135 A ATOM 8 N LIG 1 -0.050 0.413 -1.645 0.00 0.00 -0.335 N ATOM 9 H LIG 1 -0.239 0.027 -0.730 0.00 0.00 +0.167 HD ATOM 10 C LIG 1 -2.972 0.946 -3.822 0.00 0.00 +0.082 A ATOM 11 CL LIG 1 -4.674 0.858 -4.107 0.00 0.00 -0.080 Cl ENDROOT BRANCH 5 12 ATOM 12 C LIG 1 2.439 0.609 -1.387 0.00 0.00 +0.053 A ATOM 13 C LIG 1 2.488 0.073 -0.100 0.00 0.00 +0.136 A ATOM 14 F LIG 1 1.361 -0.329 0.512 0.00 0.00 -0.205 F ATOM 15 C LIG 1 3.694 -0.062 0.595 0.00 0.00 +0.062 A ATOM 16 C LIG 1 4.915 0.338 0.036 0.00 0.00 +0.033 A ATOM 17 C LIG 1 4.856 0.874 -1.261 0.00 0.00 +0.024 A ATOM 18 C LIG 1 3.647 1.008 -1.961 0.00 0.00 +0.016 A BRANCH 16 19 ATOM 19 N LIG 1 6.112 0.208 0.718 0.00 0.00 -0.327 N ATOM 20 C LIG 1 7.297 1.009 0.359 0.00 0.00 +0.120 C ATOM 21 C LIG 1 8.222 1.225 1.582 0.00 0.00 +0.103 C ATOM 22 N LIG 1 8.671 -0.001 2.274 0.00 0.00 -0.302 NA ATOM 23 C LIG 1 10.022 -0.386 1.875 0.00 0.00 +0.105 C ATOM 24 C LIG 1 7.728 -1.119 2.058 0.00 0.00 +0.103 C ATOM 25 C LIG 1 6.255 -0.679 1.886 0.00 0.00 +0.120 C ENDBRANCH 16 19 ENDBRANCH 5 12 BRANCH 1 29 ATOM 26 N LIG 1 -5.215 -1.080 0.209 0.00 0.00 -0.294 NA ATOM 27 C LIG 1 -4.112 -1.904 -0.341 0.00 0.00 +0.103 C ATOM 28 C LIG 1 -3.495 -1.400 -1.667 0.00 0.00 +0.120 C ATOM 29 N LIG 1 -3.010 -0.019 -1.500 0.00 0.00 -0.325 N ATOM 30 C LIG 1 -3.922 0.883 -0.762 0.00 0.00 +0.120 C ATOM 31 C LIG 1 -5.297 0.233 -0.477 0.00 0.00 +0.103 C BRANCH 26 32 ATOM 32 C LIG 1 -6.502 -1.801 0.138 0.00 0.00 +0.143 C BRANCH 32 37 ATOM 33 C LIG 1 -9.476 0.420 3.658 0.00 0.00 +0.089 C ATOM 34 C LIG 1 -8.791 -0.159 2.490 0.00 0.00 +0.135 A ATOM 35 O LIG 1 -9.426 -0.034 1.294 0.00 0.00 -0.360 OA ATOM 36 N LIG 1 -8.661 -0.620 0.301 0.00 0.00 -0.082 NA ATOM 37 C LIG 1 -7.567 -1.092 0.915 0.00 0.00 +0.098 A ATOM 38 C LIG 1 -7.607 -0.826 2.305 0.00 0.00 +0.072 A ENDBRANCH 32 37 ENDBRANCH 26 32 ENDBRANCH 1 29 TORSDOF 5