REMARK Name = BDB035383 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.667 -1.075 0.380 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.570 -1.730 0.352 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.859 -2.892 0.136 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.597 -0.721 0.639 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.969 -0.883 0.718 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.746 0.247 1.005 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.114 1.502 1.190 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.717 1.649 1.105 0.00 0.00 +0.061 A ATOM 9 C LIG 1 0.973 0.506 0.827 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.504 0.343 0.674 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.413 -1.413 -0.002 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -3.114 -0.883 0.193 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.944 -1.669 0.175 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.090 -3.039 -0.048 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.350 -3.603 -0.239 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.488 -2.802 -0.214 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 -5.740 -0.513 0.004 0.00 0.00 +0.058 C ATOM 18 C LIG 1 -5.698 0.935 0.604 0.00 0.00 +0.037 C ATOM 19 C LIG 1 -7.095 0.678 1.226 0.00 0.00 +0.094 C ATOM 20 C LIG 1 -6.758 -0.830 1.163 0.00 0.00 +0.037 C BRANCH 17 23 ATOM 21 C LIG 1 -4.496 0.161 -2.918 0.00 0.00 +0.151 C ATOM 22 N LIG 1 -5.851 -0.228 -2.643 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -6.422 -0.524 -1.435 0.00 0.00 +0.144 A ATOM 24 N LIG 1 -7.692 -0.817 -1.627 0.00 0.00 -0.134 NA ATOM 25 N LIG 1 -7.954 -0.718 -2.970 0.00 0.00 -0.138 NA ATOM 26 C LIG 1 -6.840 -0.369 -3.568 0.00 0.00 +0.224 A ENDBRANCH 17 23 BRANCH 19 27 ATOM 27 C LIG 1 -7.291 1.222 2.551 0.00 0.00 +0.066 C ATOM 28 N LIG 1 -7.424 1.665 3.615 0.00 0.00 -0.196 NA ENDBRANCH 19 27 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 1.046 2.982 1.295 0.00 0.00 +0.418 C ATOM 30 F LIG 1 0.346 3.362 0.189 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.138 2.958 2.310 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.900 4.001 1.573 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.257 0.142 1.088 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 5.859 0.748 -0.096 0.00 0.00 -0.307 NA ATOM 35 H LIG 1 5.447 0.311 -0.921 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 7.331 0.824 -0.166 0.00 0.00 +0.017 C ATOM 37 C LIG 1 8.009 -0.537 0.102 0.00 0.00 +0.022 C ATOM 38 C LIG 1 8.353 -0.064 1.529 0.00 0.00 +0.004 C ATOM 39 C LIG 1 7.974 1.376 1.125 0.00 0.00 +0.022 C ATOM 40 C LIG 1 7.760 1.526 -1.445 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8