REMARK Name = BDB000765 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.709 0.615 -0.676 0.00 0.00 -0.232 N ATOM 2 C LIG 1 -0.655 0.887 -0.644 0.00 0.00 +0.080 A ATOM 3 C LIG 1 -0.803 2.137 -1.243 0.00 0.00 +0.041 A ATOM 4 C LIG 1 -2.075 2.702 -1.335 0.00 0.00 +0.124 A ATOM 5 N LIG 1 -3.159 2.035 -0.869 0.00 0.00 -0.240 NA ATOM 6 C LIG 1 -3.025 0.809 -0.331 0.00 0.00 +0.121 A ATOM 7 C LIG 1 0.493 2.506 -1.660 0.00 0.00 +0.070 A ATOM 8 C LIG 1 0.902 3.736 -2.383 0.00 0.00 +0.068 C ATOM 9 C LIG 1 -1.785 0.180 -0.210 0.00 0.00 +0.072 A ATOM 10 N LIG 1 1.396 1.570 -1.362 0.00 0.00 -0.170 NA ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 3.525 -1.754 0.003 0.00 0.00 -0.013 A ATOM 12 C LIG 1 2.743 -0.729 -0.557 0.00 0.00 +0.036 A ATOM 13 C LIG 1 1.445 -0.455 -0.085 0.00 0.00 +0.068 A ATOM 14 C LIG 1 0.936 -1.206 0.978 0.00 0.00 +0.047 A ATOM 15 C LIG 1 1.706 -2.230 1.533 0.00 0.00 +0.044 A ATOM 16 CL LIG 1 1.074 -3.146 2.847 0.00 0.00 -0.083 Cl ATOM 17 C LIG 1 2.984 -2.508 1.053 0.00 0.00 +0.028 A BRANCH 11 19 ATOM 18 C LIG 1 5.979 -1.161 -0.294 0.00 0.00 +0.041 A ATOM 19 C LIG 1 4.880 -2.035 -0.504 0.00 0.00 +0.003 A ATOM 20 C LIG 1 5.085 -3.225 -1.231 0.00 0.00 +0.010 A ATOM 21 C LIG 1 6.338 -3.551 -1.744 0.00 0.00 +0.001 A ATOM 22 C LIG 1 7.409 -2.692 -1.538 0.00 0.00 +0.002 A ATOM 23 C LIG 1 7.231 -1.507 -0.819 0.00 0.00 +0.024 A BRANCH 18 26 ATOM 24 C LIG 1 6.070 2.138 1.549 0.00 0.00 +0.109 C ATOM 25 C LIG 1 6.692 1.020 0.749 0.00 0.00 +0.214 C ATOM 26 N LIG 1 5.775 0.029 0.450 0.00 0.00 -0.285 N ATOM 27 H LIG 1 4.834 0.179 0.791 0.00 0.00 +0.155 HD ATOM 28 O LIG 1 7.872 1.065 0.422 0.00 0.00 -0.276 OA ENDBRANCH 18 26 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 6 29 ATOM 29 N LIG 1 -4.153 0.088 0.093 0.00 0.00 -0.322 N ATOM 30 H LIG 1 -3.996 -0.224 1.048 0.00 0.00 +0.148 HD BRANCH 29 31 ATOM 31 C LIG 1 -5.447 0.771 -0.020 0.00 0.00 +0.099 C ATOM 32 C LIG 1 -5.993 0.669 -1.448 0.00 0.00 +0.033 C BRANCH 31 33 ATOM 33 C LIG 1 -6.415 0.126 0.968 0.00 0.00 -0.028 A ATOM 34 C LIG 1 -7.019 0.902 1.970 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -7.901 0.323 2.885 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -8.188 -1.038 2.813 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -7.594 -1.824 1.828 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -6.712 -1.247 0.912 0.00 0.00 +0.005 A ENDBRANCH 31 33 ENDBRANCH 29 31 ENDBRANCH 6 29 TORSDOF 6