REMARK Name = BDB045651 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.119 0.538 -0.396 0.00 0.00 +0.017 A ATOM 2 C LIG 1 3.375 -0.305 0.440 0.00 0.00 +0.012 A ATOM 3 C LIG 1 1.989 -0.430 0.292 0.00 0.00 +0.009 A ATOM 4 C LIG 1 1.301 0.283 -0.700 0.00 0.00 -0.018 A ATOM 5 C LIG 1 2.049 1.122 -1.539 0.00 0.00 +0.009 A ATOM 6 C LIG 1 3.438 1.248 -1.392 0.00 0.00 +0.012 A ENDROOT BRANCH 1 12 ATOM 7 C LIG 1 8.808 -0.196 1.007 0.00 0.00 +0.064 A ATOM 8 C LIG 1 7.614 0.288 0.437 0.00 0.00 +0.102 A ATOM 9 C LIG 1 7.661 1.424 -0.365 0.00 0.00 +0.067 A ATOM 10 N LIG 1 6.361 1.624 -0.752 0.00 0.00 -0.338 N ATOM 11 H LIG 1 6.036 2.383 -1.330 0.00 0.00 +0.167 HD ATOM 12 C LIG 1 5.570 0.639 -0.204 0.00 0.00 +0.139 A ATOM 13 C LIG 1 8.837 2.126 -0.641 0.00 0.00 +0.028 A ATOM 14 C LIG 1 10.015 1.635 -0.069 0.00 0.00 +0.003 A ATOM 15 N LIG 1 6.313 -0.174 0.527 0.00 0.00 -0.227 NA ATOM 16 C LIG 1 10.005 0.496 0.740 0.00 0.00 +0.015 A BRANCH 7 20 ATOM 17 N LIG 1 7.659 -2.045 2.093 0.00 0.00 -0.325 N ATOM 18 H LIG 1 6.792 -1.711 1.677 0.00 0.00 +0.145 HD ATOM 19 H LIG 1 7.652 -2.872 2.671 0.00 0.00 +0.145 HD ATOM 20 C LIG 1 8.841 -1.400 1.869 0.00 0.00 +0.244 C ATOM 21 O LIG 1 9.886 -1.807 2.363 0.00 0.00 -0.270 OA ENDBRANCH 7 20 ENDBRANCH 1 12 BRANCH 4 22 ATOM 22 C LIG 1 -0.156 0.151 -0.860 0.00 0.00 -0.018 A ATOM 23 C LIG 1 -0.758 -1.109 -1.013 0.00 0.00 +0.012 A ATOM 24 C LIG 1 -2.144 -1.240 -1.168 0.00 0.00 +0.046 A ATOM 25 C LIG 1 -2.958 -0.110 -1.169 0.00 0.00 +0.121 A ATOM 26 C LIG 1 -2.374 1.148 -1.020 0.00 0.00 +0.046 A ATOM 27 C LIG 1 -0.990 1.279 -0.867 0.00 0.00 +0.012 A BRANCH 25 28 ATOM 28 O LIG 1 -4.317 -0.094 -1.312 0.00 0.00 -0.491 OA BRANCH 28 29 ATOM 29 C LIG 1 -4.983 -1.355 -1.377 0.00 0.00 +0.244 C BRANCH 29 30 ATOM 30 C LIG 1 -6.509 -1.150 -1.479 0.00 0.00 +0.125 C BRANCH 30 31 ATOM 31 N LIG 1 -7.234 -0.676 -0.289 0.00 0.00 -0.299 NA ATOM 32 C LIG 1 -6.971 -1.436 0.926 0.00 0.00 +0.084 C ATOM 33 C LIG 1 -8.053 -1.144 1.973 0.00 0.00 +0.015 C ATOM 34 C LIG 1 -8.497 0.320 1.993 0.00 0.00 +0.002 C ATOM 35 C LIG 1 -7.454 1.220 1.348 0.00 0.00 +0.015 C ATOM 36 C LIG 1 -7.138 0.775 -0.088 0.00 0.00 +0.084 C ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 4 22 TORSDOF 7