REMARK Name = BDB010151 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.343 -1.269 0.300 0.00 0.00 +0.199 A ATOM 2 N LIG 1 0.228 -0.647 -0.235 0.00 0.00 -0.303 N ATOM 3 C LIG 1 -0.810 -0.812 0.659 0.00 0.00 +0.130 A ATOM 4 C LIG 1 -0.205 -1.417 1.750 0.00 0.00 +0.185 A ATOM 5 N LIG 1 -0.825 -1.697 2.907 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 -2.109 -1.298 2.891 0.00 0.00 +0.242 A ATOM 7 N LIG 1 -2.785 -0.720 1.879 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 -2.165 -0.483 0.710 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.101 -1.710 1.511 0.00 0.00 -0.194 NA ENDROOT BRANCH 1 10 ATOM 10 N LIG 1 2.510 -1.364 -0.365 0.00 0.00 -0.308 N ATOM 11 H LIG 1 2.645 -1.059 -1.320 0.00 0.00 +0.149 HD BRANCH 10 13 ATOM 12 C LIG 1 3.988 -3.223 0.177 0.00 0.00 +0.033 C ATOM 13 C LIG 1 3.735 -1.723 0.344 0.00 0.00 +0.102 C BRANCH 13 14 ATOM 14 C LIG 1 4.839 -0.825 -0.177 0.00 0.00 -0.009 A ATOM 15 C LIG 1 4.929 0.482 0.306 0.00 0.00 +0.116 A ATOM 16 N LIG 1 5.832 1.396 -0.119 0.00 0.00 -0.263 NA ATOM 17 C LIG 1 6.705 0.993 -1.063 0.00 0.00 +0.111 A ATOM 18 C LIG 1 6.704 -0.277 -1.614 0.00 0.00 +0.020 A ATOM 19 C LIG 1 5.753 -1.194 -1.169 0.00 0.00 +0.008 A ENDBRANCH 13 14 ENDBRANCH 10 13 ENDBRANCH 1 10 BRANCH 6 20 ATOM 20 C LIG 1 -2.861 -1.567 4.166 0.00 0.00 +0.375 C ATOM 21 O LIG 1 -4.035 -1.311 4.374 0.00 0.00 -0.242 OA BRANCH 20 22 ATOM 22 O LIG 1 -2.053 -2.155 5.094 0.00 0.00 -0.475 OA ATOM 23 H LIG 1 -1.147 -2.275 4.724 0.00 0.00 +0.296 HD ENDBRANCH 20 22 ENDBRANCH 6 20 BRANCH 8 24 ATOM 24 N LIG 1 -2.853 0.048 -0.365 0.00 0.00 -0.324 N ATOM 25 H LIG 1 -2.594 -0.400 -1.235 0.00 0.00 +0.148 HD BRANCH 24 26 ATOM 26 C LIG 1 -4.285 0.377 -0.328 0.00 0.00 +0.072 C ATOM 27 C LIG 1 -4.692 1.238 0.867 0.00 0.00 +0.028 C BRANCH 26 28 ATOM 28 C LIG 1 -5.245 -0.803 -0.512 0.00 0.00 +0.009 C ATOM 29 C LIG 1 -5.158 -2.130 0.299 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -5.706 -2.838 -0.959 0.00 0.00 +0.001 C ATOM 31 C LIG 1 -5.080 -1.690 -1.780 0.00 0.00 +0.005 C ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 8 24 BRANCH 2 32 ATOM 32 C LIG 1 0.216 0.147 -1.454 0.00 0.00 +0.160 C BRANCH 32 33 ATOM 33 C LIG 1 0.690 1.561 -1.204 0.00 0.00 -0.028 A ATOM 34 C LIG 1 2.012 1.934 -1.483 0.00 0.00 +0.006 A ATOM 35 C LIG 1 2.462 3.229 -1.211 0.00 0.00 +0.013 A ATOM 36 C LIG 1 1.594 4.186 -0.670 0.00 0.00 +0.055 A ATOM 37 C LIG 1 0.271 3.816 -0.392 0.00 0.00 +0.013 A ATOM 38 C LIG 1 -0.176 2.518 -0.657 0.00 0.00 +0.006 A BRANCH 36 39 ATOM 39 C LIG 1 2.085 5.578 -0.354 0.00 0.00 +0.417 C ATOM 40 F LIG 1 2.560 5.688 0.916 0.00 0.00 -0.166 F ATOM 41 F LIG 1 3.095 5.989 -1.172 0.00 0.00 -0.166 F ATOM 42 F LIG 1 1.110 6.524 -0.471 0.00 0.00 -0.166 F ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 2 32 TORSDOF 11