REMARK Name = LIG001293 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -4.534 0.357 1.274 0.00 0.00 -0.275 OA ATOM 2 C LIG 1 -3.457 0.239 0.697 0.00 0.00 +0.222 C ATOM 3 N LIG 1 -2.715 1.331 0.339 0.00 0.00 -0.240 N ATOM 4 H LIG 1 -3.134 2.232 0.515 0.00 0.00 +0.159 HD ATOM 5 C LIG 1 -1.618 1.338 -0.483 0.00 0.00 +0.309 C ATOM 6 O LIG 1 -1.230 2.388 -0.986 0.00 0.00 -0.252 OA ATOM 7 N LIG 1 -1.032 0.106 -0.699 0.00 0.00 -0.281 N ATOM 8 C LIG 1 -1.419 -1.018 0.137 0.00 0.00 +0.119 C ATOM 9 C LIG 1 -2.924 -1.095 0.257 0.00 0.00 +0.115 C ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 0.235 0.036 -1.420 0.00 0.00 +0.144 C BRANCH 10 11 ATOM 11 C LIG 1 1.432 0.022 -0.498 0.00 0.00 -0.030 A ATOM 12 C LIG 1 2.113 -1.173 -0.225 0.00 0.00 +0.005 A ATOM 13 C LIG 1 3.208 -1.183 0.641 0.00 0.00 +0.000 A ATOM 14 C LIG 1 3.631 -0.000 1.245 0.00 0.00 +0.000 A ATOM 15 C LIG 1 2.962 1.193 0.983 0.00 0.00 +0.000 A ATOM 16 C LIG 1 1.868 1.205 0.117 0.00 0.00 +0.005 A ENDBRANCH 10 11 ENDBRANCH 7 10 TORSDOF 2