REMARK Name = BDB035625 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.089 0.692 -0.811 0.00 0.00 -0.263 N ATOM 2 C LIG 1 1.380 1.118 -1.148 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.778 1.838 -2.045 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.296 0.531 -0.162 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.671 0.653 -0.076 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.327 -0.007 0.973 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.576 -0.780 1.891 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.175 -0.894 1.789 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.554 -0.221 0.741 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.108 -0.156 0.373 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.568 0.829 -1.693 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -2.357 0.542 -1.030 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.114 1.001 -1.507 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.109 1.762 -2.680 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.294 2.051 -3.359 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.512 1.587 -2.873 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -4.937 0.361 -1.194 0.00 0.00 +0.087 C BRANCH 17 20 ATOM 18 C LIG 1 -4.350 2.913 0.645 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -5.571 2.588 -0.042 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -5.852 1.507 -0.843 0.00 0.00 +0.140 A ATOM 21 N LIG 1 -7.098 1.622 -1.266 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 -7.631 2.774 -0.745 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -6.703 3.345 -0.018 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -4.911 -0.695 -0.060 0.00 0.00 +0.021 C BRANCH 24 25 ATOM 25 C LIG 1 -6.274 -1.321 0.266 0.00 0.00 +0.018 C ATOM 26 C LIG 1 -6.927 -2.077 -0.883 0.00 0.00 +0.163 C ATOM 27 O LIG 1 -7.737 -3.111 -0.302 0.00 0.00 -0.379 OA ATOM 28 C LIG 1 -7.491 -3.145 1.109 0.00 0.00 +0.160 C ATOM 29 C LIG 1 -6.195 -2.398 1.331 0.00 0.00 +0.034 C ENDBRANCH 24 25 ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 1.373 -1.714 2.763 0.00 0.00 +0.418 C ATOM 31 F LIG 1 0.405 -0.978 3.377 0.00 0.00 -0.166 F ATOM 32 F LIG 1 0.723 -2.743 2.156 0.00 0.00 -0.166 F ATOM 33 F LIG 1 2.114 -2.268 3.760 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 5.835 0.082 1.092 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 6.462 -0.823 0.135 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 6.170 -1.775 0.351 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 7.906 -0.681 -0.099 0.00 0.00 +0.017 C ATOM 38 C LIG 1 8.723 -0.126 1.095 0.00 0.00 +0.022 C ATOM 39 C LIG 1 9.424 0.816 0.088 0.00 0.00 +0.004 C ATOM 40 C LIG 1 8.207 0.643 -0.849 0.00 0.00 +0.022 C ATOM 41 C LIG 1 8.469 -1.935 -0.760 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 9