REMARK Name = BDB056374 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 3.219 -2.860 0.311 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 2.413 -1.939 0.275 0.00 0.00 +0.247 C ATOM 3 C LIG 1 2.782 -0.571 -0.124 0.00 0.00 +0.058 A ATOM 4 C LIG 1 1.794 0.430 -0.108 0.00 0.00 +0.044 A ATOM 5 C LIG 1 2.232 1.734 -0.405 0.00 0.00 +0.024 A ATOM 6 C LIG 1 3.563 2.010 -0.751 0.00 0.00 +0.002 A ATOM 7 C LIG 1 4.504 0.988 -0.792 0.00 0.00 +0.001 A ATOM 8 N LIG 1 0.460 0.132 0.245 0.00 0.00 -0.306 N ATOM 9 C LIG 1 0.070 -1.276 0.127 0.00 0.00 +0.165 C ATOM 10 C LIG 1 -1.217 -1.538 0.926 0.00 0.00 +0.077 C ATOM 11 C LIG 1 -2.320 -0.603 0.522 0.00 0.00 -0.039 A ATOM 12 C LIG 1 -1.996 0.658 0.002 0.00 0.00 -0.027 A ATOM 13 C LIG 1 -3.034 1.536 -0.349 0.00 0.00 +0.005 A ATOM 14 C LIG 1 -4.369 1.169 -0.173 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -4.682 -0.078 0.360 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -3.662 -0.961 0.712 0.00 0.00 +0.004 A ATOM 17 C LIG 1 -0.560 1.099 -0.205 0.00 0.00 +0.142 C ATOM 18 C LIG 1 4.117 -0.306 -0.469 0.00 0.00 +0.015 A ATOM 19 N LIG 1 1.112 -2.127 0.633 0.00 0.00 -0.293 N ATOM 20 H LIG 1 0.897 -3.103 0.779 0.00 0.00 +0.151 HD ENDROOT TORSDOF 0