REMARK Name = BDB020063 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.411 -0.031 -1.458 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.492 -1.058 -1.161 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.855 -0.780 -1.022 0.00 0.00 -0.013 A ATOM 4 C LIG 1 -2.309 0.534 -1.186 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -1.421 1.573 -1.511 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -0.055 1.278 -1.647 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.791 -1.843 -0.717 0.00 0.00 +0.032 A ATOM 8 C LIG 1 -3.979 -2.269 -1.382 0.00 0.00 +0.173 A ATOM 9 N LIG 1 -4.545 -3.307 -0.730 0.00 0.00 -0.166 NA ATOM 10 N LIG 1 -3.729 -3.535 0.316 0.00 0.00 -0.268 N ATOM 11 C LIG 1 -2.661 -2.688 0.363 0.00 0.00 +0.117 A BRANCH 8 12 ATOM 12 C LIG 1 -4.558 -1.690 -2.646 0.00 0.00 +0.437 C ATOM 13 F LIG 1 -5.071 -0.444 -2.446 0.00 0.00 -0.164 F ATOM 14 F LIG 1 -3.617 -1.560 -3.623 0.00 0.00 -0.164 F ATOM 15 F LIG 1 -5.560 -2.438 -3.181 0.00 0.00 -0.164 F ENDBRANCH 8 12 BRANCH 10 16 ATOM 16 C LIG 1 -4.027 -4.606 1.264 0.00 0.00 +0.101 C ATOM 17 C LIG 1 -4.006 -5.974 0.585 0.00 0.00 +0.032 C ATOM 18 C LIG 1 -5.351 -4.360 1.986 0.00 0.00 +0.032 C ENDBRANCH 10 16 ENDBRANCH 3 7 BRANCH 1 21 ATOM 19 N LIG 1 2.747 0.615 -1.250 0.00 0.00 -0.304 N ATOM 20 H LIG 1 2.411 1.402 -0.718 0.00 0.00 +0.150 HD ATOM 21 C LIG 1 1.852 -0.377 -1.591 0.00 0.00 +0.245 C ATOM 22 O LIG 1 2.181 -1.499 -1.957 0.00 0.00 -0.270 OA BRANCH 19 23 ATOM 23 C LIG 1 4.165 0.333 -1.170 0.00 0.00 +0.107 C BRANCH 23 30 ATOM 24 C LIG 1 4.802 1.081 3.828 0.00 0.00 +0.047 C ATOM 25 C LIG 1 4.810 0.182 2.629 0.00 0.00 -0.015 A ATOM 26 C LIG 1 5.185 -1.156 2.759 0.00 0.00 +0.126 A ATOM 27 F LIG 1 5.512 -1.643 3.964 0.00 0.00 -0.205 F ATOM 28 C LIG 1 5.220 -2.004 1.659 0.00 0.00 +0.039 A ATOM 29 C LIG 1 4.890 -1.512 0.397 0.00 0.00 +0.008 A ATOM 30 C LIG 1 4.535 -0.163 0.222 0.00 0.00 -0.027 A ATOM 31 C LIG 1 4.492 0.673 1.354 0.00 0.00 +0.011 A ENDBRANCH 23 30 BRANCH 23 32 ATOM 32 C LIG 1 4.932 1.583 -1.533 0.00 0.00 +0.014 C ATOM 33 C LIG 1 5.215 1.899 -2.983 0.00 0.00 +0.006 C ATOM 34 C LIG 1 6.339 1.490 -2.072 0.00 0.00 +0.006 C ENDBRANCH 23 32 ENDBRANCH 19 23 ENDBRANCH 1 21 BRANCH 5 35 ATOM 35 C LIG 1 -1.928 2.985 -1.702 0.00 0.00 +0.141 C BRANCH 35 36 ATOM 36 N LIG 1 -2.235 3.622 -0.439 0.00 0.00 -0.315 N ATOM 37 C LIG 1 -3.423 3.550 0.241 0.00 0.00 +0.089 C ATOM 38 N LIG 1 -4.579 3.181 -0.172 0.00 0.00 -0.289 NA ATOM 39 H LIG 1 -4.544 2.948 -1.165 0.00 0.00 +0.188 HD ATOM 40 C LIG 1 -3.228 3.976 1.678 0.00 0.00 +0.072 C ATOM 41 C LIG 1 -1.888 4.702 1.596 0.00 0.00 +0.026 C ATOM 42 C LIG 1 -1.150 4.007 0.453 0.00 0.00 +0.107 C ENDBRANCH 35 36 ENDBRANCH 5 35 TORSDOF 9