REMARK Name = BDB027499 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.837 0.451 0.508 0.00 0.00 -0.003 A ATOM 2 C LIG 1 0.146 0.651 -0.473 0.00 0.00 +0.054 A ATOM 3 C LIG 1 0.203 1.937 -1.025 0.00 0.00 +0.134 A ATOM 4 N LIG 1 -0.606 2.976 -0.707 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 -1.550 2.769 0.233 0.00 0.00 +0.071 A ATOM 6 C LIG 1 -1.683 1.529 0.856 0.00 0.00 +0.035 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -2.405 3.932 0.548 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -1.886 5.239 0.466 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -2.678 6.345 0.762 0.00 0.00 +0.159 A ATOM 10 F LIG 1 -2.150 7.574 0.681 0.00 0.00 -0.202 F ATOM 11 C LIG 1 -4.003 6.179 1.139 0.00 0.00 +0.158 A ATOM 12 F LIG 1 -4.765 7.243 1.424 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -4.550 4.906 1.221 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -3.757 3.791 0.926 0.00 0.00 +0.013 A ENDBRANCH 5 7 BRANCH 2 15 ATOM 15 N LIG 1 1.067 -0.302 -0.912 0.00 0.00 -0.320 N ATOM 16 C LIG 1 2.251 -0.520 -0.038 0.00 0.00 +0.120 C ATOM 17 C LIG 1 2.763 -2.004 -0.143 0.00 0.00 +0.076 C ATOM 18 C LIG 1 2.884 -2.473 -1.603 0.00 0.00 +0.022 C ATOM 19 C LIG 1 1.671 -2.093 -2.460 0.00 0.00 +0.020 C ATOM 20 C LIG 1 0.543 -1.447 -1.658 0.00 0.00 +0.106 C BRANCH 16 21 ATOM 21 C LIG 1 3.340 0.514 -0.334 0.00 0.00 -0.026 A ATOM 22 C LIG 1 4.052 1.087 0.734 0.00 0.00 +0.005 A ATOM 23 C LIG 1 5.066 2.019 0.502 0.00 0.00 +0.000 A ATOM 24 C LIG 1 5.385 2.393 -0.800 0.00 0.00 +0.000 A ATOM 25 C LIG 1 4.691 1.835 -1.871 0.00 0.00 +0.000 A ATOM 26 C LIG 1 3.678 0.902 -1.640 0.00 0.00 +0.005 A ENDBRANCH 16 21 BRANCH 17 27 ATOM 27 N LIG 1 4.006 -2.295 0.593 0.00 0.00 -0.325 NA ATOM 28 H LIG 1 4.755 -1.703 0.227 0.00 0.00 +0.119 HD ATOM 29 H LIG 1 4.298 -3.254 0.405 0.00 0.00 +0.119 HD ENDBRANCH 17 27 ENDBRANCH 2 15 BRANCH 1 30 ATOM 30 C LIG 1 -1.050 -0.860 1.223 0.00 0.00 +0.161 C BRANCH 30 35 ATOM 31 C LIG 1 -3.522 -4.884 0.215 0.00 0.00 +0.147 A ATOM 32 C LIG 1 -3.180 -3.527 0.091 0.00 0.00 +0.147 A ATOM 33 N LIG 1 -3.660 -2.511 -0.709 0.00 0.00 -0.231 NA ATOM 34 C LIG 1 -2.943 -1.455 -0.381 0.00 0.00 +0.202 A ATOM 35 N LIG 1 -2.026 -1.738 0.596 0.00 0.00 -0.310 N ATOM 36 C LIG 1 -2.172 -3.063 0.919 0.00 0.00 +0.166 A ATOM 37 N LIG 1 -1.483 -3.763 1.835 0.00 0.00 -0.216 NA ATOM 38 C LIG 1 -1.905 -5.044 1.874 0.00 0.00 +0.225 A ATOM 39 N LIG 1 -2.872 -5.632 1.136 0.00 0.00 -0.219 NA BRANCH 31 40 ATOM 40 N LIG 1 -4.508 -5.493 -0.550 0.00 0.00 -0.341 N ATOM 41 H LIG 1 -5.169 -4.839 -0.953 0.00 0.00 +0.144 HD ATOM 42 H LIG 1 -4.877 -6.324 -0.106 0.00 0.00 +0.144 HD ENDBRANCH 31 40 ENDBRANCH 30 35 ENDBRANCH 1 30 TORSDOF 7