REMARK Name = BDB033544 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.089 0.021 -0.338 0.00 0.00 -0.323 N ATOM 2 C LIG 1 1.370 -0.171 0.156 0.00 0.00 +0.069 A ATOM 3 C LIG 1 1.673 -1.489 -0.165 0.00 0.00 +0.090 A ATOM 4 C LIG 1 2.912 -2.039 0.197 0.00 0.00 +0.038 A ATOM 5 C LIG 1 3.838 -1.240 0.880 0.00 0.00 -0.011 A ATOM 6 C LIG 1 3.519 0.086 1.192 0.00 0.00 +0.011 A ATOM 7 N LIG 1 0.642 -2.079 -0.837 0.00 0.00 -0.230 NA ATOM 8 C LIG 1 2.285 0.646 0.835 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -0.312 -1.171 -0.932 0.00 0.00 +0.132 A ENDROOT BRANCH 9 10 ATOM 10 C LIG 1 -1.627 -1.454 -1.646 0.00 0.00 +0.148 C ATOM 11 N LIG 1 -2.831 -1.165 -0.824 0.00 0.00 -0.261 N ATOM 12 C LIG 1 -4.073 -0.927 -1.456 0.00 0.00 +0.224 C ATOM 13 O LIG 1 -5.156 -0.838 -0.891 0.00 0.00 -0.275 OA ATOM 14 C LIG 1 -4.099 -0.797 -2.940 0.00 0.00 +0.079 C ATOM 15 C LIG 1 -2.856 -0.794 -3.765 0.00 0.00 +0.004 C ATOM 16 C LIG 1 -3.760 -1.996 -3.801 0.00 0.00 +0.017 C ATOM 17 C LIG 1 -1.575 -0.745 -3.015 0.00 0.00 +0.035 C BRANCH 11 18 ATOM 18 C LIG 1 -2.863 -1.569 0.567 0.00 0.00 +0.040 A ATOM 19 C LIG 1 -2.076 -2.622 1.058 0.00 0.00 +0.064 A ATOM 20 C LIG 1 -2.119 -2.973 2.407 0.00 0.00 +0.160 A ATOM 21 F LIG 1 -1.360 -3.987 2.845 0.00 0.00 -0.202 F ATOM 22 C LIG 1 -2.942 -2.290 3.290 0.00 0.00 +0.159 A ATOM 23 F LIG 1 -2.977 -2.630 4.586 0.00 0.00 -0.202 F ATOM 24 C LIG 1 -3.735 -1.249 2.835 0.00 0.00 +0.043 A ATOM 25 C LIG 1 -3.695 -0.893 1.482 0.00 0.00 +0.026 A ENDBRANCH 11 18 ENDBRANCH 9 10 BRANCH 5 26 ATOM 26 C LIG 1 5.121 -1.783 1.270 0.00 0.00 +0.047 A ATOM 27 C LIG 1 6.057 -2.300 0.401 0.00 0.00 +0.142 A ATOM 28 C LIG 1 6.125 -2.494 -1.060 0.00 0.00 +0.090 C ATOM 29 O LIG 1 7.148 -2.702 1.107 0.00 0.00 -0.359 OA ATOM 30 N LIG 1 6.953 -2.448 2.451 0.00 0.00 -0.083 NA ATOM 31 C LIG 1 5.734 -1.902 2.546 0.00 0.00 +0.088 A ATOM 32 C LIG 1 5.195 -1.516 3.870 0.00 0.00 +0.070 C ENDBRANCH 5 26 BRANCH 1 36 ATOM 33 C LIG 1 -1.271 4.096 0.383 0.00 0.00 +0.118 C ATOM 34 C LIG 1 -1.873 2.941 1.192 0.00 0.00 +0.033 C ATOM 35 C LIG 1 -0.975 1.708 1.182 0.00 0.00 +0.027 C ATOM 36 C LIG 1 -0.682 1.260 -0.259 0.00 0.00 +0.089 C ATOM 37 C LIG 1 -0.058 2.404 -1.075 0.00 0.00 +0.027 C ATOM 38 C LIG 1 -0.945 3.648 -1.048 0.00 0.00 +0.033 C BRANCH 33 40 ATOM 39 C LIG 1 -1.698 6.421 0.055 0.00 0.00 +0.194 C ATOM 40 O LIG 1 -2.239 5.146 0.376 0.00 0.00 -0.380 OA ENDBRANCH 33 40 ENDBRANCH 1 36 TORSDOF 5