REMARK Name = BDB024014 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.020 0.647 0.140 0.00 0.00 +0.047 A ATOM 2 C LIG 1 0.010 0.762 1.526 0.00 0.00 +0.134 A ATOM 3 F LIG 1 0.819 1.633 2.140 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.835 -0.015 2.315 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -1.715 -0.913 1.715 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -1.770 -1.021 0.321 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -0.888 -0.249 -0.452 0.00 0.00 +0.018 A ENDROOT BRANCH 1 11 ATOM 8 N LIG 1 3.990 0.702 -0.477 0.00 0.00 -0.313 N ATOM 9 C LIG 1 3.388 1.546 0.575 0.00 0.00 +0.114 C ATOM 10 C LIG 1 2.373 2.494 -0.043 0.00 0.00 +0.093 C ATOM 11 P LIG 1 1.065 1.614 -0.903 0.00 0.00 +0.122 P ATOM 12 O LIG 1 0.295 2.558 -1.798 0.00 0.00 -0.316 OA ATOM 13 C LIG 1 2.048 0.504 -1.937 0.00 0.00 +0.093 C ATOM 14 C LIG 1 3.056 -0.257 -1.095 0.00 0.00 +0.114 C BRANCH 8 16 ATOM 15 C LIG 1 6.382 0.647 0.054 0.00 0.00 +0.092 A ATOM 16 C LIG 1 5.122 0.029 0.057 0.00 0.00 +0.139 A ATOM 17 N LIG 1 4.951 -1.213 0.574 0.00 0.00 -0.239 NA ATOM 18 C LIG 1 6.025 -1.848 1.096 0.00 0.00 +0.113 A ATOM 19 C LIG 1 7.295 -1.305 1.134 0.00 0.00 +0.021 A ATOM 20 C LIG 1 7.475 -0.035 0.602 0.00 0.00 +0.024 A BRANCH 15 22 ATOM 21 N LIG 1 6.785 3.007 -0.939 0.00 0.00 -0.191 NA ATOM 22 C LIG 1 6.582 1.948 -0.510 0.00 0.00 +0.103 C ENDBRANCH 15 22 ENDBRANCH 8 16 ENDBRANCH 1 11 BRANCH 6 23 ATOM 23 C LIG 1 -2.737 -1.971 -0.351 0.00 0.00 +0.093 C BRANCH 23 24 ATOM 24 C LIG 1 -4.168 -1.845 0.159 0.00 0.00 +0.074 A ATOM 25 C LIG 1 -5.015 -0.701 -0.269 0.00 0.00 +0.011 A ATOM 26 C LIG 1 -6.309 -0.642 0.246 0.00 0.00 +0.050 A ATOM 27 C LIG 1 -7.171 0.405 -0.104 0.00 0.00 +0.014 A ATOM 28 C LIG 1 -6.732 1.401 -0.975 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -5.440 1.348 -1.494 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -6.765 -1.695 1.167 0.00 0.00 +0.272 A ATOM 31 O LIG 1 -7.895 -1.686 1.643 0.00 0.00 -0.266 OA ATOM 32 N LIG 1 -5.855 -2.682 1.455 0.00 0.00 -0.242 N ATOM 33 H LIG 1 -6.154 -3.418 2.087 0.00 0.00 +0.192 HD ATOM 34 C LIG 1 -4.581 0.300 -1.145 0.00 0.00 +0.010 A ATOM 35 N LIG 1 -4.586 -2.769 0.975 0.00 0.00 -0.175 NA ENDBRANCH 23 24 ENDBRANCH 6 23 TORSDOF 5