REMARK Name = BDB046957 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.962 -2.000 2.203 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.163 -1.161 1.265 0.00 0.00 -0.017 A ATOM 3 C LIG 1 -1.261 -1.045 1.242 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -1.612 -0.171 0.202 0.00 0.00 +0.062 A ATOM 5 C LIG 1 -2.966 0.116 -0.087 0.00 0.00 +0.061 A ATOM 6 C LIG 1 -3.451 0.992 -1.182 0.00 0.00 +0.246 C ATOM 7 N LIG 1 -2.643 1.934 -1.757 0.00 0.00 -0.310 N ATOM 8 H LIG 1 -3.137 2.511 -2.428 0.00 0.00 +0.149 HD ATOM 9 C LIG 1 -1.334 2.350 -1.313 0.00 0.00 +0.126 C ATOM 10 C LIG 1 -0.312 1.234 -1.430 0.00 0.00 +0.141 C ATOM 11 O LIG 1 -4.609 0.899 -1.584 0.00 0.00 -0.270 OA ATOM 12 C LIG 1 -3.950 -0.506 0.709 0.00 0.00 +0.015 A ATOM 13 C LIG 1 -3.616 -1.360 1.751 0.00 0.00 +0.001 A ATOM 14 N LIG 1 -0.421 0.252 -0.361 0.00 0.00 -0.337 N ATOM 15 C LIG 1 -2.278 -1.633 2.024 0.00 0.00 +0.010 A ATOM 16 C LIG 1 0.659 -0.361 0.247 0.00 0.00 +0.053 A ENDROOT BRANCH 16 17 ATOM 17 C LIG 1 2.052 -0.155 -0.151 0.00 0.00 -0.001 A ATOM 18 C LIG 1 2.538 -0.724 -1.336 0.00 0.00 +0.013 A ATOM 19 C LIG 1 3.868 -0.527 -1.713 0.00 0.00 +0.039 A ATOM 20 C LIG 1 4.704 0.232 -0.902 0.00 0.00 +0.123 A ATOM 21 F LIG 1 5.980 0.421 -1.265 0.00 0.00 -0.205 F ATOM 22 C LIG 1 4.239 0.797 0.280 0.00 0.00 +0.039 A ATOM 23 C LIG 1 2.910 0.601 0.659 0.00 0.00 +0.013 A ENDBRANCH 16 17 TORSDOF 1