REMARK Name = BDB025937 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.793 0.766 0.279 0.00 0.00 +0.021 A ATOM 2 C LIG 1 0.370 1.955 0.897 0.00 0.00 +0.133 A ATOM 3 F LIG 1 1.272 2.857 1.313 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.978 2.257 1.087 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.961 1.367 0.656 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.561 0.161 0.035 0.00 0.00 +0.056 A ATOM 7 C LIG 1 -0.206 -0.130 -0.147 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -3.345 1.620 0.790 0.00 0.00 -0.326 N ATOM 9 C LIG 1 -3.851 2.571 -0.236 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -5.296 3.093 0.081 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -5.247 4.537 0.609 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -6.037 2.158 0.948 0.00 0.00 -0.300 NA ATOM 13 C LIG 1 -7.441 2.489 1.146 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -5.345 1.892 2.225 0.00 0.00 +0.103 C ATOM 15 C LIG 1 -3.795 1.932 2.156 0.00 0.00 +0.120 C ENDBRANCH 5 8 BRANCH 1 19 ATOM 16 C LIG 1 4.949 -0.134 -0.203 0.00 0.00 +0.121 A ATOM 17 N LIG 1 4.507 0.412 0.948 0.00 0.00 -0.240 NA ATOM 18 C LIG 1 3.182 0.685 1.065 0.00 0.00 +0.121 A ATOM 19 C LIG 1 2.221 0.456 0.082 0.00 0.00 +0.003 A ATOM 20 C LIG 1 2.705 -0.094 -1.107 0.00 0.00 +0.013 A ATOM 21 C LIG 1 4.065 -0.384 -1.251 0.00 0.00 +0.044 A BRANCH 16 28 ATOM 22 C LIG 1 8.422 -1.883 -2.253 0.00 0.00 +0.039 C ATOM 23 C LIG 1 8.053 -2.146 -0.796 0.00 0.00 +0.133 C ATOM 24 O LIG 1 8.947 -1.483 0.114 0.00 0.00 -0.371 OA ATOM 25 C LIG 1 8.650 -0.104 0.398 0.00 0.00 +0.133 C ATOM 26 C LIG 1 9.207 0.834 -0.669 0.00 0.00 +0.039 C ATOM 27 C LIG 1 7.159 0.149 0.699 0.00 0.00 +0.137 C ATOM 28 N LIG 1 6.317 -0.427 -0.370 0.00 0.00 -0.310 N ATOM 29 C LIG 1 6.561 -1.878 -0.501 0.00 0.00 +0.137 C ENDBRANCH 16 28 ENDBRANCH 1 19 BRANCH 6 30 ATOM 30 N LIG 1 -2.617 -0.693 -0.345 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -3.523 -0.320 -0.059 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -2.550 -1.904 -0.984 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -1.548 -2.489 -1.371 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -3.892 -2.530 -1.176 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -4.219 -3.846 -0.633 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -5.447 -4.361 -0.847 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -6.455 -3.613 -1.637 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -7.572 -4.070 -1.837 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -6.050 -2.392 -2.116 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -6.738 -1.885 -2.661 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -4.804 -1.859 -1.900 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -3.190 -4.569 0.183 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -3.729 -5.635 0.838 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -2.179 -5.064 -0.570 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -2.648 -3.779 1.144 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 6 30 TORSDOF 6