REMARK Name = BDB064765 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.214 -2.023 0.416 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 -0.577 -0.884 0.148 0.00 0.00 +0.250 C ATOM 3 N LIG 1 0.228 0.181 -0.214 0.00 0.00 -0.281 N ATOM 4 H LIG 1 -0.232 1.020 -0.540 0.00 0.00 +0.155 HD ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 -2.032 -0.595 0.171 0.00 0.00 +0.055 A ATOM 6 C LIG 1 -2.922 -1.615 -0.143 0.00 0.00 +0.123 A ATOM 7 N LIG 1 -4.270 -1.462 -0.161 0.00 0.00 -0.263 NA ATOM 8 C LIG 1 -4.749 -0.244 0.171 0.00 0.00 +0.111 A ATOM 9 C LIG 1 -3.943 0.829 0.520 0.00 0.00 +0.020 A ATOM 10 C LIG 1 -2.561 0.650 0.523 0.00 0.00 +0.016 A ENDBRANCH 2 5 BRANCH 3 11 ATOM 11 C LIG 1 1.638 0.205 -0.275 0.00 0.00 +0.034 A ATOM 12 C LIG 1 2.237 1.377 -0.757 0.00 0.00 +0.023 A ATOM 13 C LIG 1 3.628 1.485 -0.843 0.00 0.00 +0.002 A ATOM 14 C LIG 1 4.434 0.422 -0.446 0.00 0.00 +0.000 A ATOM 15 C LIG 1 3.848 -0.745 0.037 0.00 0.00 +0.002 A ATOM 16 C LIG 1 2.455 -0.853 0.124 0.00 0.00 +0.023 A ENDBRANCH 3 11 TORSDOF 2