REMARK Name = BDB002071 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.351 1.278 2.209 0.00 0.00 +0.002 A ATOM 2 C LIG 1 4.097 0.898 1.094 0.00 0.00 +0.009 A ATOM 3 C LIG 1 3.499 0.170 0.055 0.00 0.00 -0.014 A ATOM 4 C LIG 1 2.122 -0.147 0.141 0.00 0.00 +0.024 A ATOM 5 C LIG 1 1.498 -0.880 -0.879 0.00 0.00 +0.038 A ATOM 6 N LIG 1 0.150 -1.254 -0.767 0.00 0.00 -0.323 N ATOM 7 H LIG 1 -0.281 -1.428 -1.667 0.00 0.00 +0.148 HD ATOM 8 C LIG 1 -0.686 -0.456 0.137 0.00 0.00 +0.097 C ATOM 9 C LIG 1 -1.129 0.848 -0.590 0.00 0.00 +0.045 C ATOM 10 C LIG 1 -2.410 0.724 -1.417 0.00 0.00 +0.004 C ATOM 11 C LIG 1 -3.719 0.645 -0.619 0.00 0.00 +0.000 C ATOM 12 C LIG 1 -3.587 0.529 0.897 0.00 0.00 +0.000 C ATOM 13 C LIG 1 -2.970 -0.776 1.392 0.00 0.00 +0.004 C ATOM 14 N LIG 1 0.019 -0.114 1.373 0.00 0.00 -0.323 N ATOM 15 H LIG 1 -0.503 0.507 1.978 0.00 0.00 +0.148 HD ATOM 16 C LIG 1 -1.867 -1.383 0.526 0.00 0.00 +0.045 C ATOM 17 C LIG 1 2.264 -1.349 -1.952 0.00 0.00 +0.023 A ATOM 18 C LIG 1 3.619 -1.031 -2.050 0.00 0.00 +0.002 A ATOM 19 C LIG 1 1.365 0.267 1.245 0.00 0.00 +0.038 A ATOM 20 C LIG 1 4.233 -0.269 -1.057 0.00 0.00 +0.009 A ATOM 21 C LIG 1 1.998 0.949 2.291 0.00 0.00 +0.023 A ENDROOT TORSDOF 0