REMARK Name = BDB064845 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.317 0.224 -2.074 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.971 1.216 -1.354 0.00 0.00 +0.136 A ATOM 3 F LIG 1 -0.492 2.468 -1.317 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -2.138 0.923 -0.653 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -2.687 -0.369 -0.686 0.00 0.00 +0.020 A ATOM 6 C LIG 1 -2.032 -1.360 -1.436 0.00 0.00 +0.012 A ATOM 7 C LIG 1 -0.856 -1.064 -2.134 0.00 0.00 +0.016 A ENDROOT BRANCH 1 16 ATOM 8 C LIG 1 5.748 0.681 -3.142 0.00 0.00 +0.029 C ATOM 9 C LIG 1 4.471 0.254 -2.411 0.00 0.00 +0.091 C ATOM 10 N LIG 1 4.642 0.345 -0.942 0.00 0.00 -0.289 N ATOM 11 C LIG 1 5.523 -0.546 -0.315 0.00 0.00 +0.282 C ATOM 12 O LIG 1 5.970 -1.517 -0.929 0.00 0.00 -0.267 OA ATOM 13 C LIG 1 3.641 1.143 -0.219 0.00 0.00 +0.127 C ATOM 14 C LIG 1 2.213 0.830 -0.701 0.00 0.00 +0.127 C ATOM 15 N LIG 1 2.067 0.860 -2.161 0.00 0.00 -0.294 N ATOM 16 C LIG 1 0.904 0.517 -2.842 0.00 0.00 +0.249 C ATOM 17 O LIG 1 0.838 0.387 -4.062 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 3.289 1.110 -2.924 0.00 0.00 +0.130 C BRANCH 11 19 ATOM 19 C LIG 1 5.923 -0.296 1.060 0.00 0.00 +0.191 A ATOM 20 O LIG 1 5.862 0.966 1.590 0.00 0.00 -0.439 OA ATOM 21 C LIG 1 6.343 0.905 2.862 0.00 0.00 +0.195 A ATOM 22 CL LIG 1 6.429 2.269 3.902 0.00 0.00 -0.043 Cl ATOM 23 C LIG 1 6.735 -0.382 3.155 0.00 0.00 +0.063 A ATOM 24 C LIG 1 6.480 -1.151 1.995 0.00 0.00 +0.056 A ENDBRANCH 11 19 ENDBRANCH 1 16 BRANCH 5 25 ATOM 25 C LIG 1 -3.916 -0.634 0.069 0.00 0.00 +0.139 A ATOM 26 N LIG 1 -4.727 -1.731 -0.107 0.00 0.00 -0.338 N ATOM 27 H LIG 1 -4.582 -2.467 -0.780 0.00 0.00 +0.167 HD ATOM 28 C LIG 1 -5.786 -1.646 0.762 0.00 0.00 +0.067 A ATOM 29 C LIG 1 -5.564 -0.466 1.466 0.00 0.00 +0.102 A ATOM 30 C LIG 1 -6.493 -0.088 2.454 0.00 0.00 +0.064 A ATOM 31 C LIG 1 -7.609 -0.913 2.692 0.00 0.00 +0.015 A ATOM 32 C LIG 1 -7.797 -2.089 1.962 0.00 0.00 +0.003 A ATOM 33 C LIG 1 -6.885 -2.482 0.977 0.00 0.00 +0.028 A ATOM 34 N LIG 1 -4.423 0.149 1.002 0.00 0.00 -0.227 NA BRANCH 30 35 ATOM 35 C LIG 1 -6.289 1.142 3.244 0.00 0.00 +0.244 C ATOM 36 O LIG 1 -5.204 1.473 3.698 0.00 0.00 -0.270 OA ATOM 37 N LIG 1 -7.406 1.908 3.459 0.00 0.00 -0.325 N ATOM 38 H LIG 1 -7.233 2.815 3.874 0.00 0.00 +0.145 HD ATOM 39 H LIG 1 -8.227 1.808 2.880 0.00 0.00 +0.145 HD ENDBRANCH 30 35 ENDBRANCH 5 25 TORSDOF 4