REMARK Name = BDB009529 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.464 -1.061 0.004 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.186 -1.595 -0.127 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.017 -2.948 0.069 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -1.327 -3.285 -0.089 0.00 0.00 -0.206 NA ATOM 5 C LIG 1 -1.962 -2.172 -0.409 0.00 0.00 +0.163 A ATOM 6 N LIG 1 0.952 -3.824 0.368 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 2.160 -3.248 0.436 0.00 0.00 +0.242 A ATOM 8 N LIG 1 -1.063 -1.113 -0.469 0.00 0.00 -0.314 N ATOM 9 N LIG 1 2.452 -1.938 0.266 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.408 -2.097 -0.660 0.00 0.00 +0.118 A ATOM 11 C LIG 1 -4.138 -3.123 -1.254 0.00 0.00 +0.084 A ATOM 12 C LIG 1 -5.529 -2.948 -1.364 0.00 0.00 +0.016 A ATOM 13 C LIG 1 -6.131 -1.784 -0.900 0.00 0.00 +0.020 A ATOM 14 C LIG 1 -5.322 -0.819 -0.335 0.00 0.00 +0.111 A ATOM 15 N LIG 1 -3.984 -0.950 -0.209 0.00 0.00 -0.251 NA BRANCH 11 16 ATOM 16 C LIG 1 -3.489 -4.374 -1.772 0.00 0.00 +0.419 C ATOM 17 F LIG 1 -4.327 -5.071 -2.603 0.00 0.00 -0.166 F ATOM 18 F LIG 1 -3.149 -5.259 -0.800 0.00 0.00 -0.166 F ATOM 19 F LIG 1 -2.381 -4.143 -2.528 0.00 0.00 -0.166 F ENDBRANCH 11 16 ENDBRANCH 5 10 BRANCH 1 20 ATOM 20 N LIG 1 1.735 0.295 -0.129 0.00 0.00 -0.324 N ATOM 21 H LIG 1 1.016 0.863 0.306 0.00 0.00 +0.148 HD BRANCH 20 23 ATOM 22 C LIG 1 3.250 0.891 1.711 0.00 0.00 +0.028 C ATOM 23 C LIG 1 3.088 0.764 0.193 0.00 0.00 +0.072 C BRANCH 23 24 ATOM 24 C LIG 1 3.283 2.151 -0.450 0.00 0.00 +0.009 C ATOM 25 C LIG 1 4.739 2.691 -0.530 0.00 0.00 +0.005 C ATOM 26 C LIG 1 4.814 2.129 -1.962 0.00 0.00 +0.001 C ATOM 27 C LIG 1 3.277 2.196 -2.005 0.00 0.00 +0.005 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 1 20 BRANCH 7 28 ATOM 28 C LIG 1 3.335 -4.136 0.748 0.00 0.00 +0.375 C ATOM 29 O LIG 1 4.500 -3.791 0.869 0.00 0.00 -0.242 OA BRANCH 28 30 ATOM 30 O LIG 1 3.003 -5.439 0.901 0.00 0.00 -0.475 OA ATOM 31 H LIG 1 3.853 -5.883 1.094 0.00 0.00 +0.296 HD ENDBRANCH 28 30 ENDBRANCH 7 28 BRANCH 8 32 ATOM 32 C LIG 1 -1.339 0.218 -1.002 0.00 0.00 +0.159 C BRANCH 32 33 ATOM 33 C LIG 1 -1.387 1.313 0.042 0.00 0.00 -0.028 A ATOM 34 C LIG 1 -0.952 2.602 -0.310 0.00 0.00 +0.006 A ATOM 35 C LIG 1 -0.978 3.647 0.617 0.00 0.00 +0.013 A ATOM 36 C LIG 1 -1.452 3.433 1.918 0.00 0.00 +0.055 A ATOM 37 C LIG 1 -1.917 2.157 2.263 0.00 0.00 +0.013 A ATOM 38 C LIG 1 -1.888 1.111 1.335 0.00 0.00 +0.006 A BRANCH 36 39 ATOM 39 C LIG 1 -1.505 4.566 2.912 0.00 0.00 +0.417 C ATOM 40 F LIG 1 -1.399 4.151 4.205 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -0.508 5.478 2.733 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -2.670 5.266 2.837 0.00 0.00 -0.166 F ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 8 32 TORSDOF 10