REMARK Name = BDB059715 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.009 -0.112 0.018 0.00 0.00 +0.158 A ATOM 2 C LIG 1 1.620 -1.538 0.191 0.00 0.00 +0.270 A ATOM 3 O LIG 1 2.446 -2.440 0.291 0.00 0.00 -0.266 OA ATOM 4 N LIG 1 0.281 -1.821 0.253 0.00 0.00 -0.320 N ATOM 5 H LIG 1 0.045 -2.799 0.372 0.00 0.00 +0.169 HD ATOM 6 C LIG 1 -0.721 -0.857 0.107 0.00 0.00 +0.071 A ATOM 7 C LIG 1 -0.375 0.483 -0.089 0.00 0.00 +0.044 A ATOM 8 C LIG 1 -1.406 1.404 -0.301 0.00 0.00 +0.033 A ATOM 9 C LIG 1 -2.719 0.954 -0.269 0.00 0.00 +0.111 A ATOM 10 N LIG 1 -3.069 -0.330 -0.048 0.00 0.00 -0.261 NA ATOM 11 C LIG 1 -2.062 -1.212 0.128 0.00 0.00 +0.137 A ATOM 12 C LIG 1 1.059 0.837 -0.090 0.00 0.00 +0.149 A ENDROOT BRANCH 1 14 ATOM 13 N LIG 1 4.522 0.489 0.011 0.00 0.00 -0.191 NA ATOM 14 C LIG 1 3.395 0.207 0.011 0.00 0.00 +0.108 C ENDBRANCH 1 14 BRANCH 12 15 ATOM 15 O LIG 1 1.393 2.175 -0.195 0.00 0.00 -0.505 OA ATOM 16 H LIG 1 0.731 2.712 0.273 0.00 0.00 +0.292 HD ENDBRANCH 12 15 TORSDOF 2