REMARK Name = BDB009437 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.511 0.911 -0.724 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.334 1.607 -1.915 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.493 2.660 -1.985 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.018 1.218 -3.062 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -1.900 0.136 -3.012 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.119 -0.555 -1.808 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.406 -0.165 -0.664 0.00 0.00 +0.020 A ENDROOT BRANCH 1 14 ATOM 8 O LIG 1 6.408 2.042 1.758 0.00 0.00 -0.268 OA ATOM 9 C LIG 1 5.842 1.095 1.207 0.00 0.00 +0.265 C ATOM 10 N LIG 1 4.465 1.118 0.963 0.00 0.00 -0.293 N ATOM 11 C LIG 1 3.744 0.171 0.103 0.00 0.00 +0.127 C ATOM 12 C LIG 1 2.440 0.748 -0.472 0.00 0.00 +0.127 C ATOM 13 N LIG 1 1.563 1.319 0.557 0.00 0.00 -0.294 N ATOM 14 C LIG 1 0.175 1.333 0.509 0.00 0.00 +0.249 C ATOM 15 O LIG 1 -0.533 1.662 1.459 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 2.215 1.829 1.765 0.00 0.00 +0.127 C ATOM 17 C LIG 1 3.679 2.217 1.530 0.00 0.00 +0.127 C BRANCH 9 18 ATOM 18 C LIG 1 6.681 -0.088 0.806 0.00 0.00 +0.126 A ATOM 19 N LIG 1 6.073 -1.292 0.638 0.00 0.00 -0.250 NA ATOM 20 C LIG 1 6.865 -2.340 0.323 0.00 0.00 +0.111 A ATOM 21 C LIG 1 8.239 -2.251 0.164 0.00 0.00 +0.020 A ATOM 22 C LIG 1 8.844 -1.013 0.345 0.00 0.00 +0.004 A ATOM 23 C LIG 1 8.057 0.087 0.676 0.00 0.00 +0.033 A ENDBRANCH 9 18 ENDBRANCH 1 14 BRANCH 6 24 ATOM 24 C LIG 1 -3.075 -1.730 -1.787 0.00 0.00 +0.094 C BRANCH 24 25 ATOM 25 C LIG 1 -3.902 -1.852 -0.514 0.00 0.00 +0.087 A ATOM 26 C LIG 1 -5.046 -0.901 -0.293 0.00 0.00 +0.059 A ATOM 27 N LIG 1 -5.322 0.131 -1.187 0.00 0.00 -0.342 N ATOM 28 H LIG 1 -4.497 0.477 -1.673 0.00 0.00 +0.146 HD ATOM 29 C LIG 1 -6.237 1.202 -0.798 0.00 0.00 +0.102 C ATOM 30 C LIG 1 -7.430 0.604 -0.056 0.00 0.00 +0.023 C ATOM 31 C LIG 1 -6.970 -0.242 1.138 0.00 0.00 +0.044 C ATOM 32 C LIG 1 -5.783 -1.105 0.810 0.00 0.00 +0.041 A ATOM 33 C LIG 1 -5.430 -2.184 1.758 0.00 0.00 +0.270 A ATOM 34 O LIG 1 -6.085 -2.391 2.775 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 -4.324 -2.928 1.439 0.00 0.00 -0.243 N ATOM 36 H LIG 1 -4.067 -3.671 2.080 0.00 0.00 +0.192 HD ATOM 37 N LIG 1 -3.567 -2.796 0.316 0.00 0.00 -0.174 NA ENDBRANCH 24 25 ENDBRANCH 6 24 TORSDOF 4