REMARK Name = BDB009353 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.297 -0.006 -0.587 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -1.183 -0.075 -1.972 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.318 0.705 -2.635 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.977 -0.957 -2.698 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.912 -1.757 -2.038 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -3.070 -1.671 -0.645 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -2.246 -0.795 0.077 0.00 0.00 +0.020 A ENDROOT BRANCH 1 9 ATOM 8 O LIG 1 -1.125 1.728 0.924 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -0.502 0.946 0.207 0.00 0.00 +0.249 C ATOM 10 N LIG 1 0.884 0.901 0.149 0.00 0.00 -0.295 N ATOM 11 C LIG 1 1.647 1.892 0.911 0.00 0.00 +0.123 C ATOM 12 C LIG 1 3.057 2.095 0.329 0.00 0.00 +0.103 C ATOM 13 N LIG 1 3.873 0.862 0.287 0.00 0.00 -0.296 NA ATOM 14 C LIG 1 3.043 -0.355 0.182 0.00 0.00 +0.103 C ATOM 15 C LIG 1 1.673 -0.157 -0.494 0.00 0.00 +0.123 C BRANCH 13 16 ATOM 16 C LIG 1 4.918 0.912 -0.754 0.00 0.00 +0.125 C BRANCH 16 17 ATOM 17 C LIG 1 5.940 2.059 -0.606 0.00 0.00 +0.244 C BRANCH 17 18 ATOM 18 O LIG 1 6.684 1.972 0.610 0.00 0.00 -0.491 OA BRANCH 18 19 ATOM 19 C LIG 1 7.776 1.153 0.667 0.00 0.00 +0.121 A ATOM 20 C LIG 1 8.383 1.088 1.925 0.00 0.00 +0.045 A ATOM 21 C LIG 1 9.511 0.292 2.136 0.00 0.00 +0.004 A ATOM 22 C LIG 1 10.043 -0.447 1.083 0.00 0.00 +0.000 A ATOM 23 C LIG 1 9.447 -0.387 -0.175 0.00 0.00 +0.004 A ATOM 24 C LIG 1 8.316 0.411 -0.384 0.00 0.00 +0.045 A ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 1 9 BRANCH 6 25 ATOM 25 C LIG 1 -4.099 -2.517 0.071 0.00 0.00 +0.094 C BRANCH 25 26 ATOM 26 C LIG 1 -5.513 -2.322 -0.463 0.00 0.00 +0.087 A ATOM 27 C LIG 1 -6.312 -1.134 0.002 0.00 0.00 +0.059 A ATOM 28 N LIG 1 -5.773 -0.181 0.860 0.00 0.00 -0.342 N ATOM 29 H LIG 1 -4.766 -0.063 0.767 0.00 0.00 +0.146 HD ATOM 30 C LIG 1 -6.468 1.085 1.082 0.00 0.00 +0.102 C ATOM 31 C LIG 1 -7.968 0.825 1.195 0.00 0.00 +0.023 C ATOM 32 C LIG 1 -8.491 0.064 -0.030 0.00 0.00 +0.044 C ATOM 33 C LIG 1 -7.574 -1.054 -0.448 0.00 0.00 +0.041 A ATOM 34 C LIG 1 -8.098 -2.064 -1.392 0.00 0.00 +0.270 A ATOM 35 O LIG 1 -9.242 -2.006 -1.832 0.00 0.00 -0.266 OA ATOM 36 N LIG 1 -7.228 -3.057 -1.756 0.00 0.00 -0.243 N ATOM 37 H LIG 1 -7.574 -3.762 -2.398 0.00 0.00 +0.192 HD ATOM 38 N LIG 1 -5.955 -3.215 -1.300 0.00 0.00 -0.174 NA ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 7