REMARK Name = BDB018174 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.161 2.013 0.403 0.00 0.00 +0.256 C ATOM 2 N LIG 1 1.646 0.836 -0.083 0.00 0.00 -0.282 N ATOM 3 H LIG 1 2.650 0.794 0.069 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 2.018 2.817 0.794 0.00 0.00 -0.272 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 1.093 -0.285 -0.728 0.00 0.00 +0.052 A ATOM 6 C LIG 1 1.897 -1.426 -0.809 0.00 0.00 +0.034 A ATOM 7 C LIG 1 1.427 -2.598 -1.426 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.129 -2.580 -1.971 0.00 0.00 +0.071 A ATOM 9 C LIG 1 -0.356 -3.736 -2.567 0.00 0.00 +0.028 A ATOM 10 C LIG 1 0.413 -4.899 -2.642 0.00 0.00 +0.002 A ATOM 11 C LIG 1 1.696 -4.915 -2.108 0.00 0.00 +0.001 A ATOM 12 N LIG 1 -0.646 -1.486 -1.924 0.00 0.00 -0.253 NA ATOM 13 C LIG 1 2.206 -3.768 -1.501 0.00 0.00 +0.010 A ATOM 14 C LIG 1 -0.152 -0.369 -1.330 0.00 0.00 +0.134 A ENDBRANCH 2 5 BRANCH 1 17 ATOM 15 N LIG 1 -1.878 3.572 1.919 0.00 0.00 -0.266 N ATOM 16 C LIG 1 -0.547 3.686 1.230 0.00 0.00 +0.166 C ATOM 17 C LIG 1 -0.325 2.337 0.521 0.00 0.00 +0.204 C ATOM 18 F LIG 1 -0.931 2.418 -0.703 0.00 0.00 -0.230 F ATOM 19 C LIG 1 -1.108 1.384 1.411 0.00 0.00 +0.071 C ATOM 20 C LIG 1 -2.362 2.184 1.733 0.00 0.00 +0.120 C BRANCH 15 22 ATOM 21 N LIG 1 -3.352 5.525 2.411 0.00 0.00 -0.174 NA ATOM 22 C LIG 1 -2.670 4.619 2.180 0.00 0.00 +0.169 C ENDBRANCH 15 22 ENDBRANCH 1 17 TORSDOF 3