REMARK Name = BDB056180 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.054 0.978 -0.044 0.00 0.00 +0.062 C ATOM 2 C LIG 1 1.784 0.202 -0.369 0.00 0.00 +0.256 C ATOM 3 C LIG 1 1.658 -1.027 0.549 0.00 0.00 +0.258 C ATOM 4 O LIG 1 2.611 -1.636 1.029 0.00 0.00 -0.271 OA ATOM 5 N LIG 1 0.375 -1.474 0.724 0.00 0.00 -0.280 N ATOM 6 H LIG 1 0.252 -2.334 1.241 0.00 0.00 +0.155 HD ATOM 7 C LIG 1 -0.720 -0.729 0.287 0.00 0.00 +0.076 A ATOM 8 C LIG 1 -0.528 0.546 -0.253 0.00 0.00 +0.143 A ATOM 9 C LIG 1 -1.627 1.311 -0.638 0.00 0.00 +0.047 A ATOM 10 C LIG 1 -2.916 0.794 -0.503 0.00 0.00 +0.004 A ATOM 11 C LIG 1 -3.106 -0.482 0.030 0.00 0.00 +0.002 A ATOM 12 C LIG 1 -2.008 -1.244 0.433 0.00 0.00 +0.027 A ATOM 13 O LIG 1 0.703 1.133 -0.371 0.00 0.00 -0.478 OA ENDROOT TORSDOF 0