REMARK Name = BDB000741 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.740 0.436 0.414 0.00 0.00 +0.065 C ATOM 2 C LIG 1 3.379 -0.053 0.726 0.00 0.00 +0.037 A ATOM 3 C LIG 1 2.142 0.223 0.183 0.00 0.00 +0.002 A ATOM 4 C LIG 1 1.684 1.169 -0.887 0.00 0.00 +0.044 C ATOM 5 C LIG 1 0.294 0.815 -1.491 0.00 0.00 +0.042 C ATOM 6 C LIG 1 -0.658 0.175 -0.516 0.00 0.00 -0.013 A ATOM 7 C LIG 1 -2.078 0.054 -0.543 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -2.451 -0.723 0.565 0.00 0.00 +0.047 A ATOM 9 C LIG 1 -3.784 -1.044 0.845 0.00 0.00 +0.026 A ATOM 10 C LIG 1 -4.765 -0.564 -0.029 0.00 0.00 +0.002 A ATOM 11 C LIG 1 -4.424 0.203 -1.141 0.00 0.00 +0.001 A ATOM 12 N LIG 1 -1.295 -1.069 1.236 0.00 0.00 -0.353 N ATOM 13 H LIG 1 -1.236 -1.629 2.074 0.00 0.00 +0.166 HD ATOM 14 C LIG 1 -3.087 0.516 -1.411 0.00 0.00 +0.010 A ATOM 15 C LIG 1 -0.237 -0.510 0.602 0.00 0.00 +0.071 A ATOM 16 C LIG 1 1.250 -0.561 0.945 0.00 0.00 +0.112 A ATOM 17 N LIG 1 1.838 -1.257 1.911 0.00 0.00 -0.172 NA ATOM 18 N LIG 1 3.140 -0.949 1.742 0.00 0.00 -0.281 N ATOM 19 H LIG 1 3.816 -1.375 2.367 0.00 0.00 +0.189 HD ENDROOT TORSDOF 0