REMARK Name = BDB060709 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.753 0.467 -0.175 0.00 0.00 +0.048 A ATOM 2 N LIG 1 -0.932 1.185 0.664 0.00 0.00 -0.354 N ATOM 3 H LIG 1 -1.254 1.744 1.441 0.00 0.00 +0.166 HD ATOM 4 C LIG 1 0.386 1.039 0.302 0.00 0.00 +0.047 A ATOM 5 C LIG 1 0.413 0.211 -0.816 0.00 0.00 +0.001 A ATOM 6 C LIG 1 1.658 -0.108 -1.395 0.00 0.00 +0.013 A ATOM 7 C LIG 1 2.841 0.415 -0.842 0.00 0.00 -0.046 A ATOM 8 C LIG 1 2.770 1.244 0.285 0.00 0.00 +0.006 A ATOM 9 C LIG 1 1.545 1.572 0.875 0.00 0.00 +0.026 A ATOM 10 C LIG 1 -0.934 -0.133 -1.114 0.00 0.00 +0.036 A ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.073 -0.701 2.244 0.00 0.00 +0.044 C ATOM 12 C LIG 1 -3.844 -0.089 1.106 0.00 0.00 -0.039 A ATOM 13 C LIG 1 -3.206 0.447 -0.034 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -3.982 0.982 -1.076 0.00 0.00 +0.013 A ATOM 15 C LIG 1 -5.373 1.009 -0.988 0.00 0.00 +0.039 A ATOM 16 C LIG 1 -5.992 0.498 0.143 0.00 0.00 +0.124 A ATOM 17 F LIG 1 -7.328 0.527 0.235 0.00 0.00 -0.205 F ATOM 18 C LIG 1 -5.246 -0.044 1.184 0.00 0.00 +0.042 A ENDBRANCH 1 13 BRANCH 7 19 ATOM 19 C LIG 1 4.176 0.060 -1.450 0.00 0.00 +0.046 C BRANCH 19 20 ATOM 20 C LIG 1 4.827 -1.155 -0.797 0.00 0.00 +0.125 C BRANCH 20 21 ATOM 21 C LIG 1 5.472 -0.816 0.523 0.00 0.00 +0.305 C ATOM 22 O LIG 1 5.030 -1.145 1.612 0.00 0.00 -0.251 OA BRANCH 21 23 ATOM 23 O LIG 1 6.617 -0.108 0.394 0.00 0.00 -0.481 OA ATOM 24 H LIG 1 6.882 0.064 -0.528 0.00 0.00 +0.295 HD ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 7 19 TORSDOF 5