REMARK Name = BDB035565 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.724 0.662 0.108 0.00 0.00 -0.030 A ATOM 2 C LIG 1 -2.315 0.621 0.163 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -1.599 -0.544 0.459 0.00 0.00 +0.039 A ATOM 4 C LIG 1 -2.334 -1.716 0.717 0.00 0.00 +0.046 A ATOM 5 C LIG 1 -3.729 -1.741 0.727 0.00 0.00 +0.029 A ATOM 6 C LIG 1 -4.389 -0.547 0.396 0.00 0.00 +0.027 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.175 -0.562 0.493 0.00 0.00 -0.263 N ATOM 8 C LIG 1 0.678 0.531 0.303 0.00 0.00 +0.251 C ATOM 9 O LIG 1 0.446 1.705 0.084 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 2.052 0.028 0.422 0.00 0.00 +0.043 A ATOM 11 C LIG 1 3.240 0.726 0.299 0.00 0.00 +0.018 A ATOM 12 C LIG 1 4.437 0.015 0.452 0.00 0.00 -0.032 A ATOM 13 C LIG 1 4.393 -1.376 0.719 0.00 0.00 +0.017 A ATOM 14 C LIG 1 3.175 -2.071 0.843 0.00 0.00 +0.061 A ATOM 15 C LIG 1 2.005 -1.335 0.687 0.00 0.00 -0.006 A ATOM 16 C LIG 1 0.580 -1.780 0.755 0.00 0.00 +0.150 C BRANCH 14 17 ATOM 17 C LIG 1 3.131 -3.550 1.115 0.00 0.00 +0.418 C ATOM 18 F LIG 1 4.350 -4.111 1.334 0.00 0.00 -0.166 F ATOM 19 F LIG 1 2.572 -4.245 0.087 0.00 0.00 -0.166 F ATOM 20 F LIG 1 2.377 -3.847 2.211 0.00 0.00 -0.166 F ENDBRANCH 14 17 BRANCH 12 21 ATOM 21 C LIG 1 5.771 0.716 0.314 0.00 0.00 +0.116 C BRANCH 21 22 ATOM 22 N LIG 1 6.441 0.284 -0.912 0.00 0.00 -0.307 NA ATOM 23 H LIG 1 5.861 0.548 -1.709 0.00 0.00 +0.123 HD BRANCH 22 24 ATOM 24 C LIG 1 7.824 0.773 -1.000 0.00 0.00 +0.017 C ATOM 25 C LIG 1 8.730 -0.039 -0.033 0.00 0.00 +0.022 C ATOM 26 C LIG 1 9.703 -0.242 -1.214 0.00 0.00 +0.004 C ATOM 27 C LIG 1 8.503 -0.016 -2.159 0.00 0.00 +0.022 C ATOM 28 C LIG 1 7.972 2.282 -1.062 0.00 0.00 +0.027 C ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 12 21 ENDBRANCH 3 7 BRANCH 1 31 ATOM 29 C LIG 1 -5.727 3.635 0.504 0.00 0.00 +0.120 C ATOM 30 C LIG 1 -6.008 2.165 0.119 0.00 0.00 +0.051 C ATOM 31 C LIG 1 -4.501 2.013 -0.276 0.00 0.00 +0.060 C ATOM 32 C LIG 1 -4.248 3.230 0.683 0.00 0.00 +0.051 C BRANCH 31 33 ATOM 33 C LIG 1 -4.267 2.378 -1.810 0.00 0.00 +0.144 A ATOM 34 N LIG 1 -4.446 1.576 -2.906 0.00 0.00 -0.320 N ATOM 35 C LIG 1 -4.882 0.209 -2.948 0.00 0.00 +0.151 C ATOM 36 C LIG 1 -4.142 2.345 -3.988 0.00 0.00 +0.224 A ATOM 37 N LIG 1 -3.814 3.551 -3.592 0.00 0.00 -0.138 NA ATOM 38 N LIG 1 -3.892 3.574 -2.221 0.00 0.00 -0.134 NA ENDBRANCH 31 33 BRANCH 29 40 ATOM 39 C LIG 1 -6.115 5.428 2.084 0.00 0.00 +0.194 C ATOM 40 O LIG 1 -6.415 4.097 1.685 0.00 0.00 -0.380 OA ENDBRANCH 29 40 ENDBRANCH 1 31 BRANCH 5 41 ATOM 41 N LIG 1 -4.508 -2.875 0.914 0.00 0.00 -0.341 N ATOM 42 H LIG 1 -5.442 -2.636 1.242 0.00 0.00 +0.146 HD BRANCH 41 43 ATOM 43 C LIG 1 -4.090 -4.188 1.415 0.00 0.00 +0.064 C ATOM 44 C LIG 1 -3.271 -4.969 0.395 0.00 0.00 +0.027 C ATOM 45 C LIG 1 -3.449 -4.121 2.796 0.00 0.00 +0.027 C ENDBRANCH 41 43 ENDBRANCH 5 41 TORSDOF 10