REMARK Name = BDB030575 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.355 -1.504 0.395 0.00 0.00 +0.160 A ATOM 2 C LIG 1 -1.339 -1.658 -0.579 0.00 0.00 +0.203 A ATOM 3 F LIG 1 -0.973 -1.879 -1.853 0.00 0.00 -0.198 F ATOM 4 C LIG 1 -2.675 -1.616 -0.193 0.00 0.00 +0.163 A ATOM 5 N LIG 1 -2.988 -1.457 1.114 0.00 0.00 -0.218 NA ATOM 6 C LIG 1 -1.977 -1.296 1.977 0.00 0.00 +0.225 A ATOM 7 N LIG 1 -0.671 -1.302 1.686 0.00 0.00 -0.218 NA ENDROOT BRANCH 1 8 ATOM 8 N LIG 1 0.996 -1.494 -0.006 0.00 0.00 -0.321 N ATOM 9 H LIG 1 1.149 -2.258 -0.669 0.00 0.00 +0.148 HD BRANCH 8 10 ATOM 10 CA LIG 1 2.014 -1.563 1.061 0.00 0.00 +0.100 C BRANCH 10 14 ATOM 11 N LIG 1 5.338 1.197 0.728 0.00 0.00 -0.294 NA ATOM 12 C LIG 1 4.851 0.452 1.891 0.00 0.00 +0.085 C ATOM 13 C LIG 1 4.487 -0.989 1.527 0.00 0.00 +0.021 C ATOM 14 C LIG 1 3.370 -1.074 0.465 0.00 0.00 +0.014 C ATOM 15 C LIG 1 3.215 0.282 -0.254 0.00 0.00 +0.021 C ATOM 16 C LIG 1 4.567 0.949 -0.497 0.00 0.00 +0.085 C BRANCH 11 17 ATOM 17 C LIG 1 5.492 2.641 0.986 0.00 0.00 +0.180 C BRANCH 17 21 ATOM 18 N LIG 1 5.922 3.329 3.300 0.00 0.00 -0.328 N ATOM 19 H LIG 1 6.550 3.424 4.089 0.00 0.00 +0.145 HD ATOM 20 H LIG 1 4.936 3.204 3.488 0.00 0.00 +0.145 HD ATOM 21 C LIG 1 6.484 2.917 2.120 0.00 0.00 +0.225 C ATOM 22 O LIG 1 7.701 2.793 2.025 0.00 0.00 -0.275 OA ENDBRANCH 17 21 ENDBRANCH 11 17 ENDBRANCH 10 14 BRANCH 10 23 ATOM 23 C LIG 1 2.088 -3.025 1.576 0.00 0.00 +0.178 C BRANCH 23 24 ATOM 24 O LIG 1 2.356 -3.920 0.491 0.00 0.00 -0.393 OA ATOM 25 H LIG 1 2.301 -4.822 0.853 0.00 0.00 +0.209 HD ENDBRANCH 23 24 ENDBRANCH 10 23 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 4 26 ATOM 26 N LIG 1 -3.736 -1.785 -1.114 0.00 0.00 -0.305 N BRANCH 26 27 ATOM 27 C LIG 1 -5.093 -1.969 -0.558 0.00 0.00 +0.075 C ATOM 28 C LIG 1 -6.126 -2.812 -1.258 0.00 0.00 +0.024 C ATOM 29 C LIG 1 -5.505 -3.301 0.015 0.00 0.00 +0.024 C ENDBRANCH 26 27 BRANCH 26 30 ATOM 30 C LIG 1 -3.650 -1.064 -2.394 0.00 0.00 +0.142 C BRANCH 30 31 ATOM 31 C LIG 1 -3.730 0.444 -2.247 0.00 0.00 -0.030 A ATOM 32 C LIG 1 -2.565 1.225 -2.239 0.00 0.00 +0.006 A ATOM 33 C LIG 1 -2.640 2.612 -2.102 0.00 0.00 +0.013 A ATOM 34 C LIG 1 -3.882 3.253 -1.966 0.00 0.00 +0.055 A ATOM 35 C LIG 1 -5.047 2.474 -1.978 0.00 0.00 +0.013 A ATOM 36 C LIG 1 -4.971 1.086 -2.118 0.00 0.00 +0.006 A BRANCH 34 37 ATOM 37 C LIG 1 -3.940 4.753 -1.829 0.00 0.00 +0.417 C ATOM 38 F LIG 1 -3.588 5.394 -2.979 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -3.099 5.226 -0.866 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -5.177 5.225 -1.505 0.00 0.00 -0.166 F ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 26 30 ENDBRANCH 4 26 TORSDOF 12