REMARK Name = BDB009387 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.724 -0.235 -0.022 0.00 0.00 +0.072 A ATOM 2 C LIG 1 0.732 -1.582 -0.369 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.190 -2.427 0.116 0.00 0.00 -0.205 F ATOM 4 C LIG 1 1.705 -2.081 -1.229 0.00 0.00 +0.039 A ATOM 5 C LIG 1 2.697 -1.232 -1.725 0.00 0.00 +0.007 A ATOM 6 C LIG 1 2.734 0.119 -1.347 0.00 0.00 -0.041 A ATOM 7 C LIG 1 1.731 0.614 -0.499 0.00 0.00 +0.020 A ENDROOT BRANCH 1 9 ATOM 8 O LIG 1 0.148 0.927 1.891 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -0.276 0.320 0.908 0.00 0.00 +0.249 C ATOM 10 N LIG 1 -1.629 0.181 0.631 0.00 0.00 -0.294 N ATOM 11 C LIG 1 -2.193 -0.285 -0.643 0.00 0.00 +0.127 C ATOM 12 C LIG 1 -3.550 0.367 -0.977 0.00 0.00 +0.124 C ATOM 13 N LIG 1 -4.524 0.184 0.112 0.00 0.00 -0.327 N ATOM 14 C LIG 1 -3.985 0.033 1.478 0.00 0.00 +0.124 C ATOM 15 C LIG 1 -2.593 0.674 1.616 0.00 0.00 +0.127 C BRANCH 13 16 ATOM 16 C LIG 1 -5.889 0.210 -0.125 0.00 0.00 +0.030 A ATOM 17 C LIG 1 -6.806 -0.351 0.779 0.00 0.00 +0.035 A ATOM 18 C LIG 1 -8.197 -0.332 0.558 0.00 0.00 +0.057 A ATOM 19 C LIG 1 -8.691 0.254 -0.611 0.00 0.00 +0.012 A ATOM 20 C LIG 1 -7.809 0.817 -1.526 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -6.432 0.792 -1.281 0.00 0.00 +0.023 A BRANCH 18 22 ATOM 22 C LIG 1 -9.131 -0.975 1.551 0.00 0.00 +0.417 C ATOM 23 F LIG 1 -9.295 -2.307 1.322 0.00 0.00 -0.166 F ATOM 24 F LIG 1 -8.698 -0.869 2.839 0.00 0.00 -0.166 F ATOM 25 F LIG 1 -10.383 -0.438 1.538 0.00 0.00 -0.166 F ENDBRANCH 18 22 ENDBRANCH 13 16 ENDBRANCH 1 9 BRANCH 6 26 ATOM 26 C LIG 1 3.819 1.040 -1.859 0.00 0.00 +0.094 C BRANCH 26 27 ATOM 27 C LIG 1 5.229 0.498 -1.661 0.00 0.00 +0.087 A ATOM 28 C LIG 1 5.804 0.433 -0.272 0.00 0.00 +0.059 A ATOM 29 N LIG 1 5.094 0.853 0.842 0.00 0.00 -0.342 N ATOM 30 H LIG 1 4.292 1.452 0.679 0.00 0.00 +0.146 HD ATOM 31 C LIG 1 5.741 1.018 2.136 0.00 0.00 +0.102 C ATOM 32 C LIG 1 6.745 -0.114 2.344 0.00 0.00 +0.023 C ATOM 33 C LIG 1 7.726 -0.212 1.168 0.00 0.00 +0.044 C ATOM 34 C LIG 1 7.045 -0.068 -0.166 0.00 0.00 +0.041 A ATOM 35 C LIG 1 7.786 -0.499 -1.372 0.00 0.00 +0.270 A ATOM 36 O LIG 1 8.929 -0.940 -1.306 0.00 0.00 -0.266 OA ATOM 37 N LIG 1 7.121 -0.374 -2.563 0.00 0.00 -0.243 N ATOM 38 H LIG 1 7.615 -0.665 -3.400 0.00 0.00 +0.192 HD ATOM 39 N LIG 1 5.862 0.113 -2.731 0.00 0.00 -0.174 NA ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 5