REMARK Name = BDB029308 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.491 0.829 1.150 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.758 0.993 1.761 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.066 1.163 2.926 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.768 0.929 0.696 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.142 1.036 0.797 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.900 0.948 -0.380 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.245 0.737 -1.617 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.843 0.627 -1.702 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.120 0.731 -0.517 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.355 0.657 -0.289 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.235 0.644 1.646 0.00 0.00 -0.039 A ATOM 12 C LIG 1 -2.945 0.643 1.062 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -1.758 0.829 1.799 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.878 1.011 3.178 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.128 1.002 3.796 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.284 0.818 3.040 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -5.598 0.418 0.764 0.00 0.00 +0.005 C ATOM 18 C LIG 1 -5.626 1.129 -0.648 0.00 0.00 +0.030 C ATOM 19 C LIG 1 -6.228 2.371 0.056 0.00 0.00 +0.093 C ATOM 20 C LIG 1 -6.793 1.396 1.116 0.00 0.00 +0.030 C BRANCH 19 21 ATOM 21 C LIG 1 -7.197 3.116 -0.715 0.00 0.00 +0.066 C ATOM 22 N LIG 1 -7.952 3.725 -1.351 0.00 0.00 -0.196 NA ENDBRANCH 19 21 BRANCH 17 23 ATOM 23 C LIG 1 -5.896 -1.097 0.788 0.00 0.00 +0.088 C BRANCH 23 26 ATOM 24 C LIG 1 -5.861 -2.578 -1.960 0.00 0.00 +0.151 C ATOM 25 N LIG 1 -7.027 -2.193 -1.212 0.00 0.00 -0.320 N ATOM 26 C LIG 1 -7.075 -1.542 -0.005 0.00 0.00 +0.134 A ATOM 27 N LIG 1 -8.338 -1.409 0.343 0.00 0.00 -0.135 NA ATOM 28 N LIG 1 -9.119 -1.949 -0.649 0.00 0.00 -0.138 NA ATOM 29 C LIG 1 -8.318 -2.418 -1.575 0.00 0.00 +0.224 A ENDBRANCH 23 26 ENDBRANCH 17 23 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 1.143 0.406 -3.016 0.00 0.00 +0.418 C ATOM 31 F LIG 1 0.379 -0.722 -3.008 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.985 0.284 -4.076 0.00 0.00 -0.166 F ATOM 33 F LIG 1 0.291 1.423 -3.322 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 5.408 1.040 -0.315 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 5.978 -0.238 0.106 0.00 0.00 -0.309 NA ATOM 36 H LIG 1 5.642 -0.979 -0.508 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 7.437 -0.124 0.203 0.00 0.00 +0.055 C ATOM 38 C LIG 1 8.099 -0.401 -1.167 0.00 0.00 +0.031 C ATOM 39 C LIG 1 9.002 -1.293 -0.400 0.00 0.00 +0.042 C ATOM 40 C LIG 1 10.459 -1.128 -0.238 0.00 0.00 +0.255 C ATOM 41 F LIG 1 11.141 -0.155 -0.929 0.00 0.00 -0.205 F ATOM 42 F LIG 1 11.056 -1.263 0.992 0.00 0.00 -0.205 F ATOM 43 C LIG 1 9.940 -2.325 -0.952 0.00 0.00 +0.088 C ATOM 44 C LIG 1 8.011 -1.475 0.689 0.00 0.00 +0.031 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 9