REMARK Name = BDB030959 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.095 -1.562 0.184 0.00 0.00 +0.090 A ATOM 2 C LIG 1 0.501 -2.720 -0.259 0.00 0.00 +0.099 A ATOM 3 C LIG 1 1.793 -2.558 -0.701 0.00 0.00 +0.129 A ATOM 4 N LIG 1 2.438 -1.377 -0.726 0.00 0.00 -0.222 NA ATOM 5 C LIG 1 1.772 -0.304 -0.297 0.00 0.00 +0.216 A ATOM 6 N LIG 1 0.519 -0.356 0.159 0.00 0.00 -0.214 NA ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -5.057 0.554 -0.070 0.00 0.00 +0.080 A ATOM 8 C LIG 1 -4.894 -0.426 0.929 0.00 0.00 +0.165 A ATOM 9 C LIG 1 -3.634 -1.014 1.101 0.00 0.00 +0.091 A ATOM 10 C LIG 1 -2.554 -0.715 0.272 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -1.450 -1.514 0.708 0.00 0.00 +0.026 A ATOM 12 C LIG 1 -1.872 -2.222 1.817 0.00 0.00 +0.093 A ATOM 13 C LIG 1 -2.742 0.233 -0.755 0.00 0.00 +0.013 A ATOM 14 N LIG 1 -3.190 -1.918 2.038 0.00 0.00 -0.357 N ATOM 15 H LIG 1 -3.760 -2.276 2.792 0.00 0.00 +0.165 HD ATOM 16 C LIG 1 -3.988 0.864 -0.909 0.00 0.00 +0.028 A BRANCH 7 18 ATOM 17 C LIG 1 -6.748 2.131 -1.024 0.00 0.00 +0.404 C ATOM 18 N LIG 1 -6.316 1.177 -0.153 0.00 0.00 -0.248 N ATOM 19 H LIG 1 -6.995 0.906 0.547 0.00 0.00 +0.158 HD ATOM 20 O LIG 1 -6.134 2.640 -1.950 0.00 0.00 -0.226 OA BRANCH 17 22 ATOM 21 C LIG 1 -8.614 3.447 -1.537 0.00 0.00 +0.282 C ATOM 22 O LIG 1 -8.032 2.448 -0.700 0.00 0.00 -0.453 OA ENDBRANCH 17 22 ENDBRANCH 7 18 BRANCH 8 23 ATOM 23 O LIG 1 -5.949 -0.744 1.761 0.00 0.00 -0.491 OA ATOM 24 C LIG 1 -6.604 -1.916 1.270 0.00 0.00 +0.277 C ENDBRANCH 8 23 ENDBRANCH 1 11 BRANCH 2 25 ATOM 25 C LIG 1 -0.152 -4.051 -0.278 0.00 0.00 +0.421 C ATOM 26 F LIG 1 0.541 -4.967 -1.017 0.00 0.00 -0.166 F ATOM 27 F LIG 1 -1.405 -4.048 -0.808 0.00 0.00 -0.166 F ATOM 28 F LIG 1 -0.260 -4.608 0.961 0.00 0.00 -0.166 F ENDBRANCH 2 25 BRANCH 5 29 ATOM 29 N LIG 1 2.342 0.953 -0.306 0.00 0.00 -0.309 N ATOM 30 H LIG 1 1.731 1.527 0.267 0.00 0.00 +0.149 HD BRANCH 29 31 ATOM 31 C LIG 1 3.766 1.118 -0.018 0.00 0.00 +0.087 C ATOM 32 C LIG 1 4.695 0.714 -1.187 0.00 0.00 +0.103 C ATOM 33 N LIG 1 6.047 0.291 -0.786 0.00 0.00 -0.309 NA ATOM 34 H LIG 1 6.675 0.360 -1.585 0.00 0.00 +0.123 HD ATOM 35 C LIG 1 6.592 0.981 0.386 0.00 0.00 +0.014 C ATOM 36 C LIG 1 6.861 2.467 0.076 0.00 0.00 +0.027 C ATOM 37 C LIG 1 7.950 0.322 0.699 0.00 0.00 +0.027 C ATOM 38 C LIG 1 5.663 0.818 1.622 0.00 0.00 +0.023 C ATOM 39 C LIG 1 4.205 0.467 1.291 0.00 0.00 +0.025 C ENDBRANCH 29 31 ENDBRANCH 5 29 TORSDOF 7