REMARK Name = BDB011067 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.038 1.496 0.680 0.00 0.00 +0.150 A ATOM 2 N LIG 1 -0.633 0.406 -0.084 0.00 0.00 -0.322 N ATOM 3 C LIG 1 -1.452 -0.661 0.239 0.00 0.00 +0.114 A ATOM 4 C LIG 1 -2.217 -0.188 1.295 0.00 0.00 +0.183 A ATOM 5 N LIG 1 -3.116 -0.915 1.972 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 -3.212 -2.167 1.528 0.00 0.00 +0.202 A ATOM 7 N LIG 1 -2.538 -2.730 0.498 0.00 0.00 -0.222 NA ATOM 8 C LIG 1 -1.649 -1.972 -0.186 0.00 0.00 +0.102 A ATOM 9 N LIG 1 -1.959 1.120 1.550 0.00 0.00 -0.209 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -4.169 -3.061 2.217 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -4.314 -4.324 1.784 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -3.839 -4.764 1.013 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -5.229 -4.905 2.571 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -5.624 -6.056 2.479 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -5.648 -3.986 3.500 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -4.923 -2.779 3.230 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 8 17 ATOM 17 C LIG 1 -1.016 -2.616 -1.322 0.00 0.00 +0.022 A ATOM 18 C LIG 1 -0.104 -3.666 -1.153 0.00 0.00 +0.033 A ATOM 19 C LIG 1 0.480 -4.263 -2.266 0.00 0.00 +0.060 A ATOM 20 CL LIG 1 1.618 -5.533 -2.077 0.00 0.00 -0.082 Cl ATOM 21 C LIG 1 0.128 -3.803 -3.525 0.00 0.00 +0.130 A ATOM 22 N LIG 1 -0.762 -2.804 -3.735 0.00 0.00 -0.261 NA ATOM 23 C LIG 1 -1.322 -2.250 -2.633 0.00 0.00 +0.120 A ENDBRANCH 8 17 BRANCH 1 24 ATOM 24 C LIG 1 -0.499 2.919 0.578 0.00 0.00 +0.171 C ATOM 25 F LIG 1 0.618 2.946 -0.221 0.00 0.00 -0.233 F ATOM 26 C LIG 1 -0.008 3.351 1.968 0.00 0.00 +0.056 C BRANCH 24 28 ATOM 27 C LIG 1 -1.897 3.438 -1.502 0.00 0.00 +0.014 C ATOM 28 C LIG 1 -1.533 3.909 -0.075 0.00 0.00 +0.003 C ATOM 29 C LIG 1 -2.838 4.053 0.733 0.00 0.00 +0.014 C ATOM 30 C LIG 1 -0.908 5.317 -0.211 0.00 0.00 +0.014 C ENDBRANCH 24 28 ENDBRANCH 1 24 BRANCH 2 31 ATOM 31 C LIG 1 0.486 0.398 -1.014 0.00 0.00 +0.127 C BRANCH 31 32 ATOM 32 C LIG 1 1.867 0.337 -0.330 0.00 0.00 +0.009 C ATOM 33 C LIG 1 2.967 0.666 -1.352 0.00 0.00 +0.005 C ATOM 34 C LIG 1 4.360 0.595 -0.731 0.00 0.00 +0.003 C ATOM 35 C LIG 1 4.622 -0.768 -0.079 0.00 0.00 -0.014 C ATOM 36 C LIG 1 6.000 -0.795 0.581 0.00 0.00 +0.007 C ATOM 37 C LIG 1 3.527 -1.101 0.940 0.00 0.00 +0.003 C ATOM 38 C LIG 1 2.135 -1.032 0.314 0.00 0.00 +0.005 C ENDBRANCH 31 32 ENDBRANCH 2 31 TORSDOF 6