REMARK Name = BDB009937 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.579 -1.320 -0.215 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.228 -1.540 -0.462 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.162 -2.578 -1.290 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -1.516 -2.617 -1.440 0.00 0.00 -0.208 NA ATOM 5 C LIG 1 -1.993 -1.661 -0.669 0.00 0.00 +0.148 A ATOM 6 N LIG 1 0.683 -3.437 -1.876 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 1.960 -3.196 -1.557 0.00 0.00 +0.242 A ATOM 8 N LIG 1 -0.960 -0.967 -0.062 0.00 0.00 -0.315 N ATOM 9 N LIG 1 2.434 -2.199 -0.773 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.418 -1.378 -0.501 0.00 0.00 +0.059 A ATOM 11 C LIG 1 -4.111 -1.753 0.662 0.00 0.00 +0.141 A ATOM 12 C LIG 1 -5.467 -1.443 0.808 0.00 0.00 +0.047 A ATOM 13 C LIG 1 -6.150 -0.808 -0.232 0.00 0.00 +0.004 A ATOM 14 C LIG 1 -5.480 -0.472 -1.408 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -4.120 -0.757 -1.544 0.00 0.00 +0.015 A BRANCH 11 16 ATOM 16 O LIG 1 -3.420 -2.356 1.681 0.00 0.00 -0.405 OA BRANCH 16 17 ATOM 17 C LIG 1 -3.849 -3.698 1.890 0.00 0.00 +0.575 C ATOM 18 F LIG 1 -5.012 -3.708 2.575 0.00 0.00 -0.133 F ATOM 19 F LIG 1 -4.002 -4.374 0.734 0.00 0.00 -0.133 F ATOM 20 F LIG 1 -2.916 -4.335 2.638 0.00 0.00 -0.133 F ENDBRANCH 16 17 ENDBRANCH 11 16 ENDBRANCH 5 10 BRANCH 1 21 ATOM 21 N LIG 1 2.045 -0.254 0.556 0.00 0.00 -0.324 N ATOM 22 H LIG 1 1.551 0.593 0.292 0.00 0.00 +0.148 HD BRANCH 21 24 ATOM 23 C LIG 1 4.164 -0.925 1.612 0.00 0.00 +0.028 C ATOM 24 C LIG 1 3.495 -0.037 0.562 0.00 0.00 +0.072 C BRANCH 24 25 ATOM 25 C LIG 1 3.727 1.420 0.904 0.00 0.00 +0.009 C ATOM 26 C LIG 1 3.561 2.487 -0.152 0.00 0.00 +0.005 C ATOM 27 C LIG 1 4.933 2.149 0.363 0.00 0.00 +0.005 C ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 1 21 BRANCH 7 28 ATOM 28 C LIG 1 2.972 -4.141 -2.153 0.00 0.00 +0.375 C ATOM 29 O LIG 1 2.747 -5.110 -2.861 0.00 0.00 -0.242 OA BRANCH 28 30 ATOM 30 O LIG 1 4.251 -3.829 -1.834 0.00 0.00 -0.475 OA ATOM 31 H LIG 1 4.775 -4.526 -2.281 0.00 0.00 +0.296 HD ENDBRANCH 28 30 ENDBRANCH 7 28 BRANCH 8 32 ATOM 32 C LIG 1 -1.114 0.120 0.897 0.00 0.00 +0.159 C BRANCH 32 33 ATOM 33 C LIG 1 -0.788 1.488 0.337 0.00 0.00 -0.028 A ATOM 34 C LIG 1 -0.306 2.473 1.218 0.00 0.00 +0.006 A ATOM 35 C LIG 1 0.003 3.755 0.758 0.00 0.00 +0.013 A ATOM 36 C LIG 1 -0.171 4.088 -0.593 0.00 0.00 +0.055 A ATOM 37 C LIG 1 -0.678 3.117 -1.468 0.00 0.00 +0.013 A ATOM 38 C LIG 1 -0.995 1.836 -1.006 0.00 0.00 +0.006 A BRANCH 36 39 ATOM 39 C LIG 1 0.188 5.471 -1.079 0.00 0.00 +0.417 C ATOM 40 F LIG 1 -0.466 6.449 -0.395 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -0.097 5.678 -2.394 0.00 0.00 -0.166 F ATOM 42 F LIG 1 1.516 5.739 -0.939 0.00 0.00 -0.166 F ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 8 32 TORSDOF 11