REMARK Name = BDB065051 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.002 1.265 -0.202 0.00 0.00 +0.162 A ATOM 2 N LIG 1 -2.259 0.776 0.807 0.00 0.00 -0.209 NA ATOM 3 C LIG 1 -2.097 1.565 1.888 0.00 0.00 +0.148 A ATOM 4 C LIG 1 -2.669 2.825 1.980 0.00 0.00 +0.036 A ATOM 5 C LIG 1 -2.480 3.657 3.157 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -1.741 3.189 4.167 0.00 0.00 +0.071 A ATOM 7 C LIG 1 -1.112 1.844 4.119 0.00 0.00 +0.253 A ATOM 8 O LIG 1 -0.450 1.481 5.088 0.00 0.00 -0.268 OA ATOM 9 C LIG 1 -3.417 3.225 0.892 0.00 0.00 +0.124 A ATOM 10 N LIG 1 -1.321 1.089 2.979 0.00 0.00 -0.288 N ATOM 11 N LIG 1 -3.600 2.470 -0.206 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 13 ATOM 12 C LIG 1 -4.353 -0.030 -1.923 0.00 0.00 -0.034 A ATOM 13 C LIG 1 -3.117 0.439 -1.410 0.00 0.00 +0.023 A ATOM 14 C LIG 1 -1.930 0.106 -2.100 0.00 0.00 +0.012 A ATOM 15 C LIG 1 -1.950 -0.649 -3.272 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -3.163 -1.087 -3.784 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -4.351 -0.780 -3.119 0.00 0.00 +0.004 A BRANCH 12 19 ATOM 18 C LIG 1 -6.511 -1.010 -0.991 0.00 0.00 +0.012 C ATOM 19 C LIG 1 -5.679 0.258 -1.224 0.00 0.00 +0.014 C ATOM 20 C LIG 1 -6.489 1.299 -2.001 0.00 0.00 +0.012 C ENDBRANCH 12 19 ENDBRANCH 1 13 BRANCH 10 21 ATOM 21 C LIG 1 -0.704 -0.228 2.876 0.00 0.00 +0.162 C BRANCH 21 22 ATOM 22 C LIG 1 0.587 -0.222 2.083 0.00 0.00 -0.028 A ATOM 23 C LIG 1 0.642 -0.807 0.811 0.00 0.00 +0.006 A ATOM 24 C LIG 1 1.826 -0.791 0.070 0.00 0.00 +0.012 A ATOM 25 C LIG 1 2.981 -0.200 0.595 0.00 0.00 +0.017 A ATOM 26 C LIG 1 2.926 0.400 1.857 0.00 0.00 +0.012 A ATOM 27 C LIG 1 1.742 0.383 2.599 0.00 0.00 +0.006 A BRANCH 25 28 ATOM 28 C LIG 1 4.228 -0.173 -0.166 0.00 0.00 +0.142 A ATOM 29 N LIG 1 4.960 -1.281 -0.550 0.00 0.00 -0.327 N ATOM 30 C LIG 1 6.039 -0.837 -1.274 0.00 0.00 +0.120 A ATOM 31 C LIG 1 5.963 0.543 -1.271 0.00 0.00 +0.162 A ATOM 32 N LIG 1 4.837 0.930 -0.562 0.00 0.00 -0.224 NA BRANCH 31 33 ATOM 33 C LIG 1 6.898 1.535 -1.899 0.00 0.00 +0.436 C ATOM 34 F LIG 1 7.429 2.397 -0.991 0.00 0.00 -0.164 F ATOM 35 F LIG 1 6.292 2.286 -2.856 0.00 0.00 -0.164 F ATOM 36 F LIG 1 7.953 0.921 -2.506 0.00 0.00 -0.164 F ENDBRANCH 31 33 BRANCH 29 37 ATOM 37 C LIG 1 4.685 -2.678 -0.223 0.00 0.00 +0.083 C ATOM 38 C LIG 1 5.851 -3.329 0.524 0.00 0.00 +0.030 C ATOM 39 C LIG 1 4.311 -3.477 -1.471 0.00 0.00 +0.030 C ENDBRANCH 29 37 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 10 21 TORSDOF 7