REMARK Name = BDB002563 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.424 -2.218 -1.459 0.00 0.00 +0.155 C ATOM 2 N LIG 1 2.683 -0.925 -0.835 0.00 0.00 -0.285 N ATOM 3 C LIG 1 4.020 -0.530 -0.734 0.00 0.00 +0.333 A ATOM 4 O LIG 1 4.950 -1.243 -1.122 0.00 0.00 -0.246 OA ATOM 5 N LIG 1 4.255 0.716 -0.176 0.00 0.00 -0.264 N ATOM 6 C LIG 1 5.633 1.159 -0.079 0.00 0.00 +0.157 C ATOM 7 C LIG 1 3.258 1.589 0.179 0.00 0.00 +0.258 A ATOM 8 O LIG 1 3.432 2.741 0.572 0.00 0.00 -0.267 OA ATOM 9 C LIG 1 1.887 1.079 0.079 0.00 0.00 +0.112 A ATOM 10 C LIG 1 1.618 -0.143 -0.402 0.00 0.00 +0.108 A ENDROOT BRANCH 10 11 ATOM 11 N LIG 1 0.311 -0.618 -0.481 0.00 0.00 -0.330 N ATOM 12 H LIG 1 0.274 -1.632 -0.449 0.00 0.00 +0.147 HD BRANCH 11 13 ATOM 13 C LIG 1 -0.875 0.012 0.098 0.00 0.00 +0.107 C BRANCH 13 14 ATOM 14 C LIG 1 -2.134 -0.770 -0.295 0.00 0.00 +0.054 C BRANCH 14 15 ATOM 15 C LIG 1 -3.381 -0.151 0.284 0.00 0.00 -0.046 A ATOM 16 C LIG 1 -4.074 0.841 -0.423 0.00 0.00 +0.004 A ATOM 17 C LIG 1 -5.216 1.430 0.122 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -5.673 1.036 1.379 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -4.988 0.053 2.091 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -3.846 -0.537 1.548 0.00 0.00 +0.004 A ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 11 13 ENDBRANCH 10 11 TORSDOF 4