REMARK Name = BDB008420 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.865 0.310 0.617 0.00 0.00 +0.003 C ATOM 2 C LIG 1 -0.918 1.543 0.655 0.00 0.00 +0.058 C ATOM 3 C LIG 1 0.489 1.064 0.582 0.00 0.00 +0.026 A ATOM 4 C LIG 1 0.907 -0.143 0.063 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -0.019 -1.088 -0.487 0.00 0.00 +0.071 A ATOM 6 N LIG 1 0.288 -2.249 -0.967 0.00 0.00 -0.175 NA ATOM 7 N LIG 1 1.520 -2.824 -1.043 0.00 0.00 -0.242 N ATOM 8 H LIG 1 1.484 -3.752 -1.459 0.00 0.00 +0.192 HD ATOM 9 C LIG 1 2.818 -2.477 -0.734 0.00 0.00 +0.273 A ATOM 10 C LIG 1 3.227 -1.202 -0.124 0.00 0.00 +0.053 A ATOM 11 C LIG 1 4.584 -0.954 0.151 0.00 0.00 +0.052 A ATOM 12 C LIG 1 4.977 0.242 0.738 0.00 0.00 +0.126 A ATOM 13 C LIG 1 4.061 1.236 1.078 0.00 0.00 +0.064 A ATOM 14 C LIG 1 2.716 0.977 0.799 0.00 0.00 +0.051 A ATOM 15 F LIG 1 6.277 0.449 0.989 0.00 0.00 -0.205 F ATOM 16 O LIG 1 3.705 -3.300 -0.985 0.00 0.00 -0.266 OA ATOM 17 C LIG 1 2.295 -0.218 0.204 0.00 0.00 +0.021 A ATOM 18 N LIG 1 1.591 1.746 1.018 0.00 0.00 -0.357 N ATOM 19 H LIG 1 1.591 2.664 1.443 0.00 0.00 +0.166 HD ATOM 20 C LIG 1 -1.485 -0.642 -0.549 0.00 0.00 +0.062 C ENDROOT BRANCH 1 22 ATOM 21 C LIG 1 -3.819 1.427 -0.662 0.00 0.00 +0.007 C ATOM 22 C LIG 1 -3.357 0.739 0.625 0.00 0.00 -0.013 C ATOM 23 C LIG 1 -4.280 -0.447 0.927 0.00 0.00 +0.007 C ENDBRANCH 1 22 TORSDOF 1