REMARK Name = BDB064235 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.369 -0.456 0.143 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.942 -1.671 0.669 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.241 -1.778 1.292 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.732 -2.809 0.541 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.972 -2.726 -0.099 0.00 0.00 +0.008 A ATOM 6 C LIG 1 -3.440 -1.499 -0.601 0.00 0.00 -0.027 A ATOM 7 C LIG 1 -2.619 -0.365 -0.482 0.00 0.00 +0.021 A ENDROOT BRANCH 1 13 ATOM 8 N LIG 1 3.569 0.847 -0.730 0.00 0.00 -0.296 N ATOM 9 C LIG 1 3.025 1.983 -0.118 0.00 0.00 +0.233 C ATOM 10 O LIG 1 3.713 2.959 0.191 0.00 0.00 -0.274 OA ATOM 11 C LIG 1 1.496 2.036 0.069 0.00 0.00 +0.204 C ATOM 12 N LIG 1 0.750 0.798 -0.139 0.00 0.00 -0.287 N ATOM 13 C LIG 1 -0.566 0.769 0.308 0.00 0.00 +0.250 C ATOM 14 O LIG 1 -1.116 1.730 0.842 0.00 0.00 -0.270 OA ATOM 15 C LIG 1 1.303 -0.084 -1.158 0.00 0.00 +0.127 C ATOM 16 C LIG 1 2.765 -0.373 -0.837 0.00 0.00 +0.127 C BRANCH 8 18 ATOM 17 C LIG 1 5.423 0.314 -2.290 0.00 0.00 +0.028 C ATOM 18 C LIG 1 5.038 0.753 -0.872 0.00 0.00 +0.076 C BRANCH 18 19 ATOM 19 C LIG 1 5.671 -0.154 0.206 0.00 0.00 +0.009 C ATOM 20 C LIG 1 5.428 0.325 1.639 0.00 0.00 +0.005 C ATOM 21 C LIG 1 6.439 -0.464 2.461 0.00 0.00 +0.000 C ATOM 22 C LIG 1 7.623 -0.717 1.531 0.00 0.00 +0.000 C ATOM 23 C LIG 1 7.200 -0.213 0.153 0.00 0.00 +0.005 C ENDBRANCH 18 19 ENDBRANCH 8 18 ENDBRANCH 1 13 BRANCH 6 24 ATOM 24 C LIG 1 -4.783 -1.438 -1.305 0.00 0.00 +0.162 C BRANCH 24 25 ATOM 25 N LIG 1 -5.561 -0.231 -1.023 0.00 0.00 -0.289 N ATOM 26 C LIG 1 -6.252 -0.069 0.218 0.00 0.00 +0.059 A ATOM 27 C LIG 1 -6.992 1.097 0.448 0.00 0.00 +0.063 A ATOM 28 C LIG 1 -7.687 1.300 1.649 0.00 0.00 +0.015 A ATOM 29 C LIG 1 -7.648 0.328 2.643 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -6.918 -0.838 2.435 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -7.043 2.131 -0.596 0.00 0.00 +0.262 A ATOM 32 O LIG 1 -7.695 3.159 -0.462 0.00 0.00 -0.267 OA ATOM 33 N LIG 1 -6.325 1.871 -1.730 0.00 0.00 -0.274 N ATOM 34 H LIG 1 -6.345 2.578 -2.449 0.00 0.00 +0.173 HD ATOM 35 C LIG 1 -6.226 -1.036 1.234 0.00 0.00 +0.027 A ATOM 36 C LIG 1 -5.592 0.753 -2.001 0.00 0.00 +0.330 A ATOM 37 O LIG 1 -5.001 0.669 -3.077 0.00 0.00 -0.246 OA ENDBRANCH 24 25 ENDBRANCH 6 24 TORSDOF 5