REMARK Name = BDB051554 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 2.231 -2.683 -1.196 0.00 0.00 -0.267 OA ATOM 2 C LIG 1 1.585 -1.726 -0.778 0.00 0.00 +0.258 A ATOM 3 C LIG 1 2.269 -0.469 -0.314 0.00 0.00 +0.049 A ATOM 4 C LIG 1 1.514 0.621 0.164 0.00 0.00 +0.016 A ATOM 5 C LIG 1 2.155 1.785 0.592 0.00 0.00 +0.011 A ATOM 6 C LIG 1 3.549 1.863 0.546 0.00 0.00 +0.001 A ATOM 7 C LIG 1 4.301 0.784 0.073 0.00 0.00 +0.001 A ATOM 8 C LIG 1 0.081 0.488 0.191 0.00 0.00 +0.115 A ATOM 9 N LIG 1 -0.857 1.390 0.603 0.00 0.00 -0.226 NA ATOM 10 C LIG 1 -2.010 0.771 0.420 0.00 0.00 +0.140 A ATOM 11 N LIG 1 -1.839 -0.517 -0.104 0.00 0.00 -0.285 N ATOM 12 C LIG 1 -2.898 -1.377 -0.388 0.00 0.00 +0.094 A ATOM 13 C LIG 1 -4.156 -0.966 -0.154 0.00 0.00 +0.018 A ATOM 14 C LIG 1 -4.375 0.366 0.390 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -3.348 1.195 0.664 0.00 0.00 +0.047 A ATOM 16 C LIG 1 -0.484 -0.683 -0.246 0.00 0.00 +0.146 A ATOM 17 C LIG 1 3.664 -0.383 -0.358 0.00 0.00 +0.014 A ATOM 18 N LIG 1 0.200 -1.777 -0.721 0.00 0.00 -0.306 N ATOM 19 H LIG 1 -0.257 -2.623 -1.033 0.00 0.00 +0.170 HD ENDROOT TORSDOF 0