REMARK Name = BDB035597 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.923 1.369 0.251 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.168 0.232 -0.050 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.497 -0.923 -0.246 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.239 0.649 -0.092 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.355 -0.124 -0.359 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.606 0.504 -0.339 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.687 1.884 -0.034 0.00 0.00 +0.014 A ATOM 8 C LIG 1 -2.541 2.657 0.239 0.00 0.00 +0.023 A ATOM 9 C LIG 1 -1.312 2.007 0.200 0.00 0.00 -0.009 A ATOM 10 C LIG 1 0.067 2.535 0.430 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.575 0.354 0.292 0.00 0.00 -0.032 A ATOM 12 C LIG 1 3.162 0.324 0.162 0.00 0.00 +0.028 A ATOM 13 C LIG 1 2.337 1.440 0.382 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.959 2.642 0.737 0.00 0.00 +0.023 A ATOM 15 C LIG 1 4.344 2.719 0.876 0.00 0.00 +0.002 A ATOM 16 C LIG 1 5.134 1.591 0.660 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 5.455 -0.975 0.023 0.00 0.00 +0.061 C ATOM 18 C LIG 1 5.151 -2.190 0.979 0.00 0.00 +0.056 C ATOM 19 C LIG 1 6.315 -1.705 1.865 0.00 0.00 +0.169 C ATOM 20 F LIG 1 7.067 -2.665 2.447 0.00 0.00 -0.245 F ATOM 21 C LIG 1 6.912 -1.064 0.595 0.00 0.00 +0.056 C BRANCH 17 24 ATOM 22 C LIG 1 6.306 0.731 -2.580 0.00 0.00 +0.151 C ATOM 23 N LIG 1 5.786 -0.607 -2.581 0.00 0.00 -0.320 N ATOM 24 C LIG 1 5.410 -1.369 -1.509 0.00 0.00 +0.144 A ATOM 25 N LIG 1 5.000 -2.541 -1.949 0.00 0.00 -0.134 NA ATOM 26 N LIG 1 5.106 -2.546 -3.319 0.00 0.00 -0.138 NA ATOM 27 C LIG 1 5.573 -1.376 -3.684 0.00 0.00 +0.224 A ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 -2.683 4.112 0.592 0.00 0.00 +0.372 C ATOM 29 F LIG 1 -1.497 4.785 0.603 0.00 0.00 -0.204 F ATOM 30 F LIG 1 -3.479 4.788 -0.281 0.00 0.00 -0.204 F ENDBRANCH 8 28 BRANCH 6 31 ATOM 31 C LIG 1 -4.868 -0.288 -0.606 0.00 0.00 +0.116 C BRANCH 31 32 ATOM 32 N LIG 1 -5.589 -0.522 0.647 0.00 0.00 -0.307 NA ATOM 33 H LIG 1 -4.929 -0.915 1.320 0.00 0.00 +0.123 HD BRANCH 32 34 ATOM 34 C LIG 1 -6.795 -1.343 0.449 0.00 0.00 +0.017 C ATOM 35 C LIG 1 -6.402 -2.831 0.227 0.00 0.00 +0.022 C ATOM 36 C LIG 1 -7.449 -3.204 1.297 0.00 0.00 +0.004 C ATOM 37 C LIG 1 -7.293 -1.776 1.862 0.00 0.00 +0.022 C ATOM 38 C LIG 1 -7.856 -0.719 -0.439 0.00 0.00 +0.027 C ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 6 31 TORSDOF 7