REMARK Name = BDB003154 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.705 -0.130 0.113 0.00 0.00 -0.254 N ATOM 2 C LIG 1 0.133 -1.073 -0.562 0.00 0.00 +0.302 A ATOM 3 O LIG 1 -0.264 -2.071 -1.160 0.00 0.00 -0.263 OA ATOM 4 C LIG 1 1.519 -0.718 -0.502 0.00 0.00 +0.217 A ATOM 5 O LIG 1 2.519 -1.444 -1.067 0.00 0.00 -0.448 OA ATOM 6 C LIG 1 3.676 -0.769 -0.794 0.00 0.00 +0.138 A ATOM 7 C LIG 1 3.412 0.387 -0.057 0.00 0.00 +0.044 A ATOM 8 C LIG 1 4.490 1.209 0.317 0.00 0.00 +0.014 A ATOM 9 C LIG 1 5.786 0.832 -0.068 0.00 0.00 +0.001 A ATOM 10 C LIG 1 6.010 -0.333 -0.807 0.00 0.00 +0.004 A ATOM 11 C LIG 1 4.952 -1.165 -1.188 0.00 0.00 +0.047 A ATOM 12 C LIG 1 2.013 0.393 0.114 0.00 0.00 +0.100 A ATOM 13 N LIG 1 1.155 1.248 0.750 0.00 0.00 -0.331 N ATOM 14 H LIG 1 1.527 2.049 1.249 0.00 0.00 +0.168 HD ATOM 15 C LIG 1 -0.207 1.010 0.814 0.00 0.00 +0.166 A ATOM 16 S LIG 1 -1.056 2.092 1.789 0.00 0.00 -0.012 S ENDROOT BRANCH 1 20 ATOM 17 C LIG 1 -5.336 1.407 -0.962 0.00 0.00 +0.044 C ATOM 18 C LIG 1 -4.399 0.347 -0.463 0.00 0.00 -0.048 A ATOM 19 C LIG 1 -3.019 0.597 -0.393 0.00 0.00 +0.029 A ATOM 20 C LIG 1 -2.123 -0.391 0.046 0.00 0.00 +0.052 A ATOM 21 C LIG 1 -2.631 -1.655 0.376 0.00 0.00 +0.026 A ATOM 22 C LIG 1 -4.000 -1.917 0.294 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -4.880 -0.921 -0.124 0.00 0.00 +0.003 A ENDBRANCH 1 20 TORSDOF 1