REMARK Name = BDB024365 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.819 1.085 -0.766 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.790 2.412 -1.514 0.00 0.00 -0.021 A ATOM 3 C LIG 1 -1.230 3.567 -0.939 0.00 0.00 +0.018 A ATOM 4 C LIG 1 -1.213 4.789 -1.632 0.00 0.00 +0.055 A ATOM 5 C LIG 1 -1.760 4.845 -2.921 0.00 0.00 +0.012 A ATOM 6 C LIG 1 -2.332 3.711 -3.497 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -2.352 2.505 -2.796 0.00 0.00 +0.005 A BRANCH 4 8 ATOM 8 C LIG 1 -0.586 6.011 -1.007 0.00 0.00 +0.417 C ATOM 9 F LIG 1 -1.067 7.182 -1.512 0.00 0.00 -0.166 F ATOM 10 F LIG 1 0.763 6.052 -1.192 0.00 0.00 -0.166 F ATOM 11 F LIG 1 -0.780 6.082 0.340 0.00 0.00 -0.166 F ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 14 ATOM 12 N LIG 1 0.420 0.193 -1.185 0.00 0.00 -0.269 N ATOM 13 H LIG 1 0.095 0.136 -2.141 0.00 0.00 +0.156 HD ATOM 14 C LIG 1 -0.407 0.722 -0.218 0.00 0.00 +0.240 C ATOM 15 O LIG 1 -0.106 0.910 0.961 0.00 0.00 -0.273 OA BRANCH 12 19 ATOM 16 C LIG 1 4.345 -1.176 -1.060 0.00 0.00 +0.003 A ATOM 17 C LIG 1 3.544 -1.128 -2.196 0.00 0.00 +0.121 A ATOM 18 N LIG 1 2.263 -0.679 -2.220 0.00 0.00 -0.240 NA ATOM 19 C LIG 1 1.735 -0.247 -1.057 0.00 0.00 +0.125 A ATOM 20 C LIG 1 2.449 -0.256 0.131 0.00 0.00 +0.044 A ATOM 21 C LIG 1 3.766 -0.726 0.126 0.00 0.00 +0.013 A BRANCH 16 26 ATOM 22 C LIG 1 9.134 -2.021 -0.044 0.00 0.00 +0.172 C ATOM 23 N LIG 1 7.826 -2.034 -0.653 0.00 0.00 -0.274 N ATOM 24 N LIG 1 7.620 -2.761 -1.764 0.00 0.00 -0.179 NA ATOM 25 C LIG 1 6.333 -2.543 -2.047 0.00 0.00 +0.143 A ATOM 26 C LIG 1 5.706 -1.678 -1.119 0.00 0.00 +0.021 A ATOM 27 C LIG 1 6.713 -1.367 -0.227 0.00 0.00 +0.116 A ENDBRANCH 16 26 ENDBRANCH 12 19 ENDBRANCH 1 14 BRANCH 1 28 ATOM 28 N LIG 1 -2.810 1.150 0.333 0.00 0.00 -0.302 NA ATOM 29 H LIG 1 -2.368 1.662 1.101 0.00 0.00 +0.123 HD BRANCH 28 30 ATOM 30 C LIG 1 -3.183 -0.186 0.812 0.00 0.00 +0.086 C BRANCH 30 31 ATOM 31 C LIG 1 -4.160 -0.073 1.990 0.00 0.00 +0.050 C BRANCH 31 32 ATOM 32 C LIG 1 -4.569 -1.433 2.507 0.00 0.00 -0.046 A ATOM 33 C LIG 1 -3.789 -2.090 3.468 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -4.156 -3.355 3.932 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -5.306 -3.978 3.437 0.00 0.00 +0.052 A ATOM 36 C LIG 1 -6.085 -3.330 2.474 0.00 0.00 +0.019 A ATOM 37 C LIG 1 -5.717 -2.064 2.010 0.00 0.00 +0.005 A BRANCH 35 38 ATOM 38 C LIG 1 -5.683 -5.277 3.913 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -5.987 -6.329 4.297 0.00 0.00 -0.191 NA ENDBRANCH 35 38 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 1 28 TORSDOF 10