REMARK Name = BDB017314 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.439 -0.261 0.707 0.00 0.00 +0.143 C ATOM 2 N LIG 1 -1.845 -0.651 1.054 0.00 0.00 -0.286 NA ATOM 3 C LIG 1 -2.586 0.608 1.317 0.00 0.00 +0.101 C ATOM 4 C LIG 1 -2.505 1.659 0.180 0.00 0.00 +0.100 C ATOM 5 N LIG 1 -1.124 1.934 -0.270 0.00 0.00 -0.296 NA ATOM 6 C LIG 1 -0.375 0.688 -0.521 0.00 0.00 +0.111 C ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -1.147 2.950 -1.340 0.00 0.00 +0.057 C ATOM 8 C LIG 1 0.267 3.353 -1.796 0.00 0.00 +0.019 C ATOM 9 C LIG 1 0.085 2.498 -3.065 0.00 0.00 +0.003 C ATOM 10 C LIG 1 -1.420 2.396 -2.750 0.00 0.00 +0.019 C ENDBRANCH 5 7 BRANCH 1 11 ATOM 11 C LIG 1 0.520 -1.465 0.571 0.00 0.00 +0.181 C ATOM 12 O LIG 1 0.160 -2.642 0.554 0.00 0.00 -0.290 OA BRANCH 11 18 ATOM 13 C LIG 1 6.765 0.540 0.512 0.00 0.00 +0.121 A ATOM 14 C LIG 1 6.151 -0.612 0.013 0.00 0.00 +0.054 A ATOM 15 C LIG 1 4.770 -0.824 0.158 0.00 0.00 -0.014 A ATOM 16 C LIG 1 3.988 0.148 0.819 0.00 0.00 -0.017 A ATOM 17 C LIG 1 2.604 -0.057 0.965 0.00 0.00 +0.020 A ATOM 18 C LIG 1 1.991 -1.208 0.452 0.00 0.00 +0.020 A ATOM 19 C LIG 1 2.777 -2.173 -0.188 0.00 0.00 +0.012 A ATOM 20 C LIG 1 4.614 1.301 1.318 0.00 0.00 +0.012 A ATOM 21 C LIG 1 4.153 -1.981 -0.337 0.00 0.00 +0.009 A ATOM 22 C LIG 1 5.992 1.496 1.165 0.00 0.00 +0.046 A BRANCH 13 24 ATOM 23 C LIG 1 8.790 1.756 0.792 0.00 0.00 +0.277 C ATOM 24 O LIG 1 8.114 0.607 0.295 0.00 0.00 -0.495 OA ENDBRANCH 13 24 ENDBRANCH 11 18 ENDBRANCH 1 11 BRANCH 2 25 ATOM 25 C LIG 1 -2.519 -1.451 0.012 0.00 0.00 +0.120 C BRANCH 25 26 ATOM 26 C LIG 1 -3.795 -2.099 0.518 0.00 0.00 -0.033 A ATOM 27 C LIG 1 -5.036 -1.806 -0.066 0.00 0.00 +0.017 A ATOM 28 C LIG 1 -6.214 -2.418 0.396 0.00 0.00 +0.055 A ATOM 29 C LIG 1 -6.136 -3.325 1.464 0.00 0.00 +0.012 A ATOM 30 C LIG 1 -4.905 -3.626 2.047 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -3.742 -3.019 1.575 0.00 0.00 +0.005 A BRANCH 28 32 ATOM 32 C LIG 1 -7.544 -2.074 -0.225 0.00 0.00 +0.417 C ATOM 33 F LIG 1 -8.487 -3.044 -0.062 0.00 0.00 -0.166 F ATOM 34 F LIG 1 -8.082 -0.938 0.300 0.00 0.00 -0.166 F ATOM 35 F LIG 1 -7.463 -1.859 -1.569 0.00 0.00 -0.166 F ENDBRANCH 28 32 ENDBRANCH 25 26 ENDBRANCH 2 25 TORSDOF 7