REMARK Name = BDB008536 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.527 -1.279 0.153 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.357 -0.736 0.674 0.00 0.00 -0.314 N ATOM 3 C LIG 1 -0.710 -1.441 0.145 0.00 0.00 +0.129 A ATOM 4 C LIG 1 -0.124 -2.286 -0.779 0.00 0.00 +0.184 A ATOM 5 N LIG 1 -0.801 -3.108 -1.592 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 -2.125 -3.016 -1.425 0.00 0.00 +0.242 A ATOM 7 N LIG 1 -2.785 -2.228 -0.543 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 -2.095 -1.431 0.290 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.232 -2.188 -0.762 0.00 0.00 -0.206 NA ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 5.241 -0.739 -0.046 0.00 0.00 -0.019 A ATOM 11 C LIG 1 3.933 -1.061 -0.416 0.00 0.00 +0.039 A ATOM 12 C LIG 1 2.904 -0.905 0.506 0.00 0.00 +0.107 A ATOM 13 N LIG 1 3.109 -0.461 1.767 0.00 0.00 -0.249 NA ATOM 14 C LIG 1 4.378 -0.154 2.124 0.00 0.00 +0.040 A ATOM 15 C LIG 1 4.598 0.330 3.527 0.00 0.00 +0.065 C ATOM 16 C LIG 1 5.456 -0.271 1.252 0.00 0.00 +0.031 A BRANCH 10 18 ATOM 17 C LIG 1 6.464 -1.949 -1.799 0.00 0.00 +0.012 C ATOM 18 C LIG 1 6.361 -0.870 -1.006 0.00 0.00 -0.050 C ATOM 19 C LIG 1 7.379 0.236 -1.053 0.00 0.00 +0.044 C ENDBRANCH 10 18 ENDBRANCH 1 12 BRANCH 6 20 ATOM 20 C LIG 1 -2.956 -3.906 -2.312 0.00 0.00 +0.375 C ATOM 21 O LIG 1 -2.553 -4.654 -3.188 0.00 0.00 -0.242 OA BRANCH 20 22 ATOM 22 O LIG 1 -4.285 -3.833 -2.060 0.00 0.00 -0.475 OA ATOM 23 H LIG 1 -4.676 -4.457 -2.705 0.00 0.00 +0.296 HD ENDBRANCH 20 22 ENDBRANCH 6 20 BRANCH 8 24 ATOM 24 N LIG 1 -2.738 -0.662 1.248 0.00 0.00 -0.324 N ATOM 25 H LIG 1 -2.315 -0.825 2.158 0.00 0.00 +0.148 HD BRANCH 24 26 ATOM 26 C LIG 1 -4.205 -0.596 1.346 0.00 0.00 +0.072 C ATOM 27 C LIG 1 -4.826 -1.933 1.739 0.00 0.00 +0.028 C BRANCH 26 28 ATOM 28 C LIG 1 -4.857 0.088 0.138 0.00 0.00 +0.009 C ATOM 29 C LIG 1 -5.375 -0.690 -1.109 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -6.504 0.356 -1.201 0.00 0.00 +0.001 C ATOM 31 C LIG 1 -6.327 0.572 0.315 0.00 0.00 +0.005 C ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 8 24 BRANCH 2 32 ATOM 32 C LIG 1 0.263 0.456 1.506 0.00 0.00 +0.159 C BRANCH 32 33 ATOM 33 C LIG 1 0.374 1.723 0.688 0.00 0.00 -0.028 A ATOM 34 C LIG 1 -0.701 2.163 -0.098 0.00 0.00 +0.006 A ATOM 35 C LIG 1 -0.594 3.327 -0.864 0.00 0.00 +0.013 A ATOM 36 C LIG 1 0.587 4.081 -0.854 0.00 0.00 +0.055 A ATOM 37 C LIG 1 1.663 3.639 -0.073 0.00 0.00 +0.013 A ATOM 38 C LIG 1 1.556 2.476 0.693 0.00 0.00 +0.006 A BRANCH 36 39 ATOM 39 C LIG 1 0.711 5.325 -1.699 0.00 0.00 +0.417 C ATOM 40 F LIG 1 1.198 5.062 -2.943 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -0.477 5.965 -1.889 0.00 0.00 -0.166 F ATOM 42 F LIG 1 1.549 6.255 -1.159 0.00 0.00 -0.166 F ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 2 32 TORSDOF 10