REMARK Name = BDB016573 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.730 1.109 1.258 0.00 0.00 -0.337 N ATOM 2 H LIG 1 0.827 1.736 2.059 0.00 0.00 +0.146 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 1.958 0.672 0.769 0.00 0.00 +0.071 A ATOM 4 C LIG 1 3.156 1.038 1.256 0.00 0.00 +0.129 A ATOM 5 CL LIG 1 3.263 2.134 2.600 0.00 0.00 -0.076 Cl ATOM 6 C LIG 1 4.448 0.544 0.696 0.00 0.00 +0.287 A ATOM 7 O LIG 1 5.526 0.927 1.148 0.00 0.00 -0.265 OA ATOM 8 N LIG 1 4.336 -0.365 -0.349 0.00 0.00 -0.231 N ATOM 9 C LIG 1 5.528 -0.892 -0.989 0.00 0.00 +0.176 C ATOM 10 N LIG 1 3.144 -0.743 -0.907 0.00 0.00 -0.175 NA ATOM 11 C LIG 1 2.065 -0.260 -0.383 0.00 0.00 +0.157 A ENDBRANCH 1 3 BRANCH 1 17 ATOM 12 C LIG 1 -4.126 -1.018 -1.029 0.00 0.00 +0.024 C ATOM 13 C LIG 1 -2.712 -0.625 -0.589 0.00 0.00 +0.053 C ATOM 14 N LIG 1 -2.391 -1.064 0.786 0.00 0.00 -0.301 NA ATOM 15 C LIG 1 -3.336 -0.616 1.808 0.00 0.00 +0.105 C ATOM 16 C LIG 1 -1.002 -0.706 1.137 0.00 0.00 +0.106 C ATOM 17 C LIG 1 -0.653 0.785 0.926 0.00 0.00 +0.084 C ATOM 18 C LIG 1 -1.043 1.286 -0.465 0.00 0.00 +0.025 C ATOM 19 C LIG 1 -2.475 0.880 -0.813 0.00 0.00 +0.020 C ENDBRANCH 1 17 TORSDOF 2