REMARK Name = BDB038356 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.373 0.668 -1.158 0.00 0.00 -0.015 A ATOM 2 C LIG 1 -0.116 0.437 -0.560 0.00 0.00 +0.032 A ATOM 3 C LIG 1 1.045 0.198 -1.319 0.00 0.00 +0.038 A ATOM 4 C LIG 1 0.919 0.201 -2.712 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -0.313 0.440 -3.326 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -1.448 0.677 -2.556 0.00 0.00 +0.008 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 2.294 -0.036 -0.680 0.00 0.00 -0.263 N ATOM 8 C LIG 1 3.511 -0.323 -1.309 0.00 0.00 +0.251 C ATOM 9 O LIG 1 3.795 -0.461 -2.484 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 4.519 -0.462 -0.250 0.00 0.00 +0.042 A ATOM 11 C LIG 1 5.868 -0.741 -0.370 0.00 0.00 +0.013 A ATOM 12 C LIG 1 6.616 -0.821 0.805 0.00 0.00 +0.001 A ATOM 13 C LIG 1 6.005 -0.623 2.057 0.00 0.00 +0.013 A ATOM 14 C LIG 1 4.631 -0.340 2.164 0.00 0.00 +0.060 A ATOM 15 C LIG 1 3.902 -0.263 0.979 0.00 0.00 -0.006 A ATOM 16 C LIG 1 2.450 0.019 0.768 0.00 0.00 +0.150 C BRANCH 14 17 ATOM 17 C LIG 1 3.965 -0.126 3.496 0.00 0.00 +0.418 C ATOM 18 F LIG 1 3.420 1.116 3.604 0.00 0.00 -0.166 F ATOM 19 F LIG 1 2.938 -0.998 3.700 0.00 0.00 -0.166 F ATOM 20 F LIG 1 4.799 -0.269 4.560 0.00 0.00 -0.166 F ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 22 ATOM 21 C LIG 1 -3.749 0.120 -0.418 0.00 0.00 +0.027 A ATOM 22 C LIG 1 -2.572 0.900 -0.325 0.00 0.00 -0.007 A ATOM 23 C LIG 1 -2.556 1.972 0.596 0.00 0.00 +0.021 A ATOM 24 C LIG 1 -3.662 2.277 1.408 0.00 0.00 +0.055 A ATOM 25 C LIG 1 -4.821 1.507 1.282 0.00 0.00 +0.013 A ATOM 26 C LIG 1 -4.863 0.446 0.377 0.00 0.00 +0.013 A BRANCH 21 29 ATOM 27 C LIG 1 -2.147 -2.598 -0.420 0.00 0.00 +0.152 C ATOM 28 N LIG 1 -3.173 -2.177 -1.335 0.00 0.00 -0.317 N ATOM 29 C LIG 1 -3.897 -1.010 -1.336 0.00 0.00 +0.164 A ATOM 30 N LIG 1 -4.802 -1.095 -2.297 0.00 0.00 -0.129 NA ATOM 31 N LIG 1 -4.638 -2.292 -2.951 0.00 0.00 -0.138 NA ATOM 32 C LIG 1 -3.654 -2.929 -2.363 0.00 0.00 +0.225 A ENDBRANCH 21 29 BRANCH 24 33 ATOM 33 C LIG 1 -3.607 3.446 2.361 0.00 0.00 +0.417 C ATOM 34 F LIG 1 -2.380 3.599 2.934 0.00 0.00 -0.166 F ATOM 35 F LIG 1 -4.486 3.339 3.395 0.00 0.00 -0.166 F ATOM 36 F LIG 1 -3.885 4.629 1.750 0.00 0.00 -0.166 F ENDBRANCH 24 33 ENDBRANCH 1 22 TORSDOF 5