REMARK Name = BDB004729 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.215 0.951 -0.095 0.00 0.00 +0.130 A ATOM 2 C LIG 1 -1.168 0.799 -0.324 0.00 0.00 +0.044 A ATOM 3 C LIG 1 -2.004 1.827 0.146 0.00 0.00 +0.088 A ATOM 4 C LIG 1 -3.389 1.694 -0.089 0.00 0.00 +0.066 A ATOM 5 C LIG 1 -3.922 0.572 -0.760 0.00 0.00 +0.060 A ATOM 6 C LIG 1 -3.092 -0.444 -1.203 0.00 0.00 +0.122 A ATOM 7 N LIG 1 -1.479 2.891 0.794 0.00 0.00 -0.235 NA ATOM 8 C LIG 1 -0.154 2.924 0.974 0.00 0.00 +0.223 A ATOM 9 C LIG 1 -1.725 -0.326 -0.981 0.00 0.00 +0.059 A ATOM 10 N LIG 1 0.718 2.012 0.551 0.00 0.00 -0.220 NA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -4.394 2.715 0.345 0.00 0.00 +0.244 C ATOM 12 O LIG 1 -5.587 2.588 0.091 0.00 0.00 -0.270 OA ATOM 13 N LIG 1 -3.958 3.806 1.036 0.00 0.00 -0.325 N ATOM 14 H LIG 1 -4.629 4.498 1.336 0.00 0.00 +0.145 HD ATOM 15 H LIG 1 -2.973 3.928 1.252 0.00 0.00 +0.145 HD ENDBRANCH 4 11 BRANCH 1 16 ATOM 16 N LIG 1 1.101 -0.042 -0.562 0.00 0.00 -0.320 N ATOM 17 H LIG 1 0.983 -0.125 -1.567 0.00 0.00 +0.148 HD BRANCH 16 18 ATOM 18 C LIG 1 2.522 0.091 -0.198 0.00 0.00 +0.116 C BRANCH 18 19 ATOM 19 C LIG 1 2.772 -0.324 1.246 0.00 0.00 -0.023 A ATOM 20 C LIG 1 2.220 -1.498 1.782 0.00 0.00 +0.043 A ATOM 21 C LIG 1 2.473 -1.853 3.102 0.00 0.00 +0.124 A ATOM 22 F LIG 1 1.937 -2.977 3.599 0.00 0.00 -0.205 F ATOM 23 C LIG 1 3.273 -1.062 3.917 0.00 0.00 +0.038 A ATOM 24 C LIG 1 3.830 0.107 3.403 0.00 0.00 +0.003 A ATOM 25 C LIG 1 3.581 0.473 2.077 0.00 0.00 +0.005 A ENDBRANCH 18 19 BRANCH 18 26 ATOM 26 C LIG 1 3.440 -0.699 -1.198 0.00 0.00 +0.107 C BRANCH 26 28 ATOM 27 C LIG 1 2.151 -2.666 -1.904 0.00 0.00 +0.101 C ATOM 28 N LIG 1 3.362 -2.171 -1.270 0.00 0.00 -0.317 NA ATOM 29 H LIG 1 4.168 -2.513 -1.793 0.00 0.00 +0.122 HD ENDBRANCH 26 28 ENDBRANCH 18 26 ENDBRANCH 16 18 ENDBRANCH 1 16 BRANCH 6 30 ATOM 30 O LIG 1 -3.476 -1.579 -1.855 0.00 0.00 -0.495 OA ATOM 31 C LIG 1 -4.873 -1.769 -2.051 0.00 0.00 +0.277 C ENDBRANCH 6 30 TORSDOF 7