REMARK Name = BDB010066 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.100 -1.688 -0.309 0.00 0.00 +0.144 A ATOM 2 N LIG 1 -0.231 -0.680 0.086 0.00 0.00 -0.315 N ATOM 3 C LIG 1 0.833 -0.671 -0.794 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.484 -1.623 -1.739 0.00 0.00 +0.184 A ATOM 5 N LIG 1 1.207 -1.913 -2.832 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 2.309 -1.149 -2.916 0.00 0.00 +0.242 A ATOM 7 N LIG 1 2.730 -0.201 -2.055 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 2.019 0.048 -0.940 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -0.685 -2.244 -1.430 0.00 0.00 -0.208 NA ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 -6.088 -1.725 -0.208 0.00 0.00 +0.044 C ATOM 11 C LIG 1 -4.774 -2.080 0.423 0.00 0.00 -0.050 A ATOM 12 C LIG 1 -3.571 -1.759 -0.222 0.00 0.00 +0.015 A ATOM 13 C LIG 1 -2.338 -2.049 0.377 0.00 0.00 +0.018 A ATOM 14 C LIG 1 -2.312 -2.691 1.620 0.00 0.00 +0.011 A ATOM 15 C LIG 1 -3.505 -3.004 2.273 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -4.729 -2.690 1.682 0.00 0.00 +0.003 A ENDBRANCH 1 13 BRANCH 6 17 ATOM 17 C LIG 1 3.172 -1.427 -4.116 0.00 0.00 +0.375 C ATOM 18 O LIG 1 4.230 -0.878 -4.376 0.00 0.00 -0.242 OA BRANCH 17 19 ATOM 19 O LIG 1 2.624 -2.398 -4.899 0.00 0.00 -0.475 OA ATOM 20 H LIG 1 1.776 -2.713 -4.505 0.00 0.00 +0.296 HD ENDBRANCH 17 19 ENDBRANCH 6 17 BRANCH 8 21 ATOM 21 N LIG 1 2.464 0.985 -0.011 0.00 0.00 -0.323 N ATOM 22 H LIG 1 2.390 0.613 0.929 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 3.793 1.558 -0.231 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 C LIG 1 4.857 0.713 0.432 0.00 0.00 -0.030 A ATOM 25 C LIG 1 5.607 -0.204 -0.318 0.00 0.00 +0.005 A ATOM 26 C LIG 1 6.573 -1.001 0.297 0.00 0.00 +0.000 A ATOM 27 C LIG 1 6.798 -0.892 1.668 0.00 0.00 +0.000 A ATOM 28 C LIG 1 6.059 0.015 2.426 0.00 0.00 +0.000 A ATOM 29 C LIG 1 5.091 0.813 1.812 0.00 0.00 +0.005 A ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 8 21 BRANCH 2 30 ATOM 30 C LIG 1 -0.471 0.243 1.188 0.00 0.00 +0.159 C BRANCH 30 31 ATOM 31 C LIG 1 -1.403 1.365 0.797 0.00 0.00 -0.028 A ATOM 32 C LIG 1 -2.718 1.398 1.282 0.00 0.00 +0.006 A ATOM 33 C LIG 1 -3.588 2.426 0.914 0.00 0.00 +0.013 A ATOM 34 C LIG 1 -3.163 3.446 0.050 0.00 0.00 +0.055 A ATOM 35 C LIG 1 -1.843 3.423 -0.421 0.00 0.00 +0.013 A ATOM 36 C LIG 1 -0.973 2.393 -0.054 0.00 0.00 +0.006 A BRANCH 34 37 ATOM 37 C LIG 1 -4.098 4.567 -0.330 0.00 0.00 +0.417 C ATOM 38 F LIG 1 -4.067 5.592 0.566 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -5.401 4.174 -0.403 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -3.810 5.120 -1.541 0.00 0.00 -0.166 F ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 2 30 TORSDOF 9