REMARK Name = BDB037301 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.940 -2.403 0.691 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -1.551 -1.141 0.634 0.00 0.00 +0.135 A ATOM 3 C LIG 1 -0.904 0.057 0.877 0.00 0.00 +0.028 A ATOM 4 C LIG 1 -1.953 0.959 1.203 0.00 0.00 +0.099 A ATOM 5 N LIG 1 -3.155 0.371 1.068 0.00 0.00 -0.167 NA ATOM 6 C LIG 1 0.577 0.111 1.020 0.00 0.00 +0.083 C ATOM 7 C LIG 1 1.232 -1.155 0.409 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -2.890 -0.815 0.453 0.00 0.00 -0.218 N ATOM 9 C LIG 1 0.466 -2.429 0.814 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.091 -3.450 1.117 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 1.093 1.421 0.450 0.00 0.00 -0.037 A ATOM 12 C LIG 1 0.781 1.867 -0.850 0.00 0.00 +0.007 A ATOM 13 C LIG 1 1.321 3.054 -1.350 0.00 0.00 +0.038 A ATOM 14 C LIG 1 2.177 3.806 -0.558 0.00 0.00 +0.123 A ATOM 15 F LIG 1 2.694 4.944 -1.036 0.00 0.00 -0.205 F ATOM 16 C LIG 1 2.507 3.390 0.725 0.00 0.00 +0.038 A ATOM 17 C LIG 1 1.971 2.201 1.226 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -3.896 -1.454 -0.320 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -5.244 -1.127 -0.108 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -6.240 -1.727 -0.881 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -5.897 -2.639 -1.877 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -4.558 -2.945 -2.114 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -3.556 -2.349 -1.344 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 1.316 -1.195 -1.060 0.00 0.00 -0.299 N ATOM 25 H LIG 1 0.448 -1.278 -1.579 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 2.389 -0.914 -1.864 0.00 0.00 +0.245 C ATOM 27 O LIG 1 2.237 -0.758 -3.070 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 3.731 -0.767 -1.270 0.00 0.00 +0.037 A ATOM 29 C LIG 1 4.406 0.447 -1.427 0.00 0.00 +0.025 A ATOM 30 C LIG 1 5.681 0.620 -0.868 0.00 0.00 +0.056 A ATOM 31 C LIG 1 6.265 -0.448 -0.167 0.00 0.00 +0.012 A ATOM 32 C LIG 1 5.598 -1.670 -0.039 0.00 0.00 +0.001 A ATOM 33 C LIG 1 4.331 -1.834 -0.596 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 6.389 1.946 -0.999 0.00 0.00 +0.417 C ATOM 35 F LIG 1 5.871 2.888 -0.163 0.00 0.00 -0.166 F ATOM 36 F LIG 1 7.718 1.879 -0.704 0.00 0.00 -0.166 F ATOM 37 F LIG 1 6.311 2.470 -2.252 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 1 39 ATOM 38 C LIG 1 -1.807 -3.748 2.588 0.00 0.00 +0.025 C ATOM 39 C LIG 1 -1.651 -3.629 1.077 0.00 0.00 +0.112 C ENDBRANCH 1 39 BRANCH 4 40 ATOM 40 C LIG 1 -1.904 2.336 1.820 0.00 0.00 +0.183 C BRANCH 40 41 ATOM 41 O LIG 1 -2.965 2.483 2.789 0.00 0.00 -0.384 OA ATOM 42 H LIG 1 -3.615 1.794 2.531 0.00 0.00 +0.210 HD ENDBRANCH 40 41 BRANCH 40 43 ATOM 43 C LIG 1 -2.019 3.498 0.813 0.00 0.00 +0.150 C BRANCH 43 44 ATOM 44 N LIG 1 -3.361 3.556 0.151 0.00 0.00 -0.280 N ATOM 45 H LIG 1 -4.114 3.597 0.848 0.00 0.00 +0.158 HD BRANCH 44 46 ATOM 46 C LIG 1 -3.608 2.982 -1.032 0.00 0.00 +0.166 C ATOM 47 N LIG 1 -3.800 2.490 -2.061 0.00 0.00 -0.174 NA ENDBRANCH 44 46 ENDBRANCH 43 44 ENDBRANCH 40 43 ENDBRANCH 4 40 TORSDOF 11