REMARK Name = BDB035406 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.225 0.669 0.140 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.878 1.512 0.307 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.994 2.584 0.872 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.014 0.870 -0.365 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.318 1.318 -0.471 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.231 0.519 -1.171 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.799 -0.709 -1.730 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.467 -1.151 -1.612 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.583 -0.330 -0.917 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.129 -0.521 -0.626 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.891 0.158 0.824 0.00 0.00 -0.010 A ATOM 12 C LIG 1 -2.565 -0.040 0.377 0.00 0.00 +0.030 A ATOM 13 C LIG 1 -1.544 0.893 0.625 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.876 2.035 1.360 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.176 2.240 1.831 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.176 1.308 1.569 0.00 0.00 +0.007 A BRANCH 11 17 ATOM 17 C LIG 1 -4.954 -0.893 0.529 0.00 0.00 +0.216 C BRANCH 17 20 ATOM 18 C LIG 1 -6.096 0.811 -1.848 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -5.516 -0.502 -1.936 0.00 0.00 -0.318 N ATOM 20 C LIG 1 -5.017 -1.276 -0.918 0.00 0.00 +0.167 A ATOM 21 N LIG 1 -4.575 -2.409 -1.436 0.00 0.00 -0.132 NA ATOM 22 N LIG 1 -4.785 -2.373 -2.793 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -5.351 -1.225 -3.077 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 O LIG 1 -6.260 -0.428 0.898 0.00 0.00 -0.361 OA BRANCH 24 25 ATOM 25 C LIG 1 -7.135 -1.408 1.504 0.00 0.00 +0.120 C ATOM 26 C LIG 1 -8.538 -0.879 1.887 0.00 0.00 +0.032 C ATOM 27 C LIG 1 -7.992 -0.625 3.304 0.00 0.00 +0.005 C ATOM 28 C LIG 1 -6.914 -1.684 3.012 0.00 0.00 +0.032 C ENDBRANCH 24 25 ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 2.010 -2.455 -2.208 0.00 0.00 +0.418 C ATOM 30 F LIG 1 1.493 -3.295 -1.270 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.996 -3.150 -2.836 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.026 -2.278 -3.132 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.678 0.944 -1.307 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 6.528 0.126 -0.441 0.00 0.00 -0.307 NA ATOM 35 H LIG 1 6.123 0.130 0.496 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 7.938 0.549 -0.484 0.00 0.00 +0.017 C ATOM 37 C LIG 1 8.130 1.859 0.332 0.00 0.00 +0.022 C ATOM 38 C LIG 1 9.319 1.174 1.037 0.00 0.00 +0.004 C ATOM 39 C LIG 1 8.672 -0.181 0.682 0.00 0.00 +0.022 C ATOM 40 C LIG 1 8.605 0.421 -1.841 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 9