REMARK Name = BDB054143 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.470 -1.034 0.290 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -1.365 -0.016 0.264 0.00 0.00 -0.024 A ATOM 3 C LIG 1 -0.051 -0.397 -0.064 0.00 0.00 +0.081 A ATOM 4 C LIG 1 0.949 0.585 -0.077 0.00 0.00 +0.065 A ATOM 5 C LIG 1 2.319 0.163 -0.422 0.00 0.00 +0.259 A ATOM 6 N LIG 1 2.476 -1.169 -0.701 0.00 0.00 -0.313 N ATOM 7 H LIG 1 3.409 -1.470 -0.939 0.00 0.00 +0.170 HD ATOM 8 C LIG 1 1.442 -2.057 -0.664 0.00 0.00 +0.199 A ATOM 9 O LIG 1 3.259 0.949 -0.460 0.00 0.00 -0.267 OA ATOM 10 C LIG 1 0.671 1.921 0.226 0.00 0.00 +0.015 A ATOM 11 C LIG 1 -0.631 2.290 0.549 0.00 0.00 +0.001 A ATOM 12 N LIG 1 0.228 -1.745 -0.369 0.00 0.00 -0.237 NA ATOM 13 C LIG 1 -1.643 1.328 0.568 0.00 0.00 +0.005 A ENDROOT TORSDOF 0