REMARK Name = BDB001007 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -1.468 3.034 0.720 0.00 0.00 -0.267 OA ATOM 2 C LIG 1 -0.822 2.020 0.479 0.00 0.00 +0.257 A ATOM 3 C LIG 1 -1.486 0.726 0.177 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -0.708 -0.418 -0.095 0.00 0.00 -0.004 A ATOM 5 C LIG 1 -1.403 -1.610 -0.373 0.00 0.00 +0.009 A ATOM 6 C LIG 1 -2.803 -1.658 -0.379 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -3.546 -0.514 -0.106 0.00 0.00 +0.001 A ATOM 8 C LIG 1 0.768 -0.314 -0.077 0.00 0.00 +0.006 A ATOM 9 C LIG 1 1.358 0.931 0.213 0.00 0.00 +0.050 A ATOM 10 C LIG 1 2.746 1.098 0.247 0.00 0.00 +0.026 A ATOM 11 C LIG 1 3.581 0.015 -0.011 0.00 0.00 +0.002 A ATOM 12 C LIG 1 3.026 -1.227 -0.301 0.00 0.00 +0.001 A ATOM 13 C LIG 1 1.636 -1.389 -0.334 0.00 0.00 +0.010 A ATOM 14 C LIG 1 -2.889 0.680 0.172 0.00 0.00 +0.014 A ATOM 15 N LIG 1 0.550 2.042 0.478 0.00 0.00 -0.322 N ATOM 16 H LIG 1 0.969 2.939 0.688 0.00 0.00 +0.169 HD ENDROOT TORSDOF 0