REMARK Name = BDB027485 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.808 -0.522 0.841 0.00 0.00 -0.003 A ATOM 2 C LIG 1 -0.797 0.599 -0.004 0.00 0.00 +0.053 A ATOM 3 C LIG 1 -1.940 0.802 -0.778 0.00 0.00 +0.134 A ATOM 4 N LIG 1 -3.035 0.006 -0.779 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 -3.031 -1.077 0.032 0.00 0.00 +0.071 A ATOM 6 C LIG 1 -1.940 -1.359 0.855 0.00 0.00 +0.035 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -4.250 -1.912 -0.012 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -4.213 -3.302 0.204 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -5.381 -4.062 0.155 0.00 0.00 +0.159 A ATOM 10 F LIG 1 -5.308 -5.384 0.367 0.00 0.00 -0.202 F ATOM 11 C LIG 1 -6.605 -3.465 -0.110 0.00 0.00 +0.158 A ATOM 12 F LIG 1 -7.723 -4.202 -0.154 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -6.677 -2.098 -0.336 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -5.507 -1.332 -0.289 0.00 0.00 +0.013 A ENDBRANCH 5 7 BRANCH 2 15 ATOM 15 N LIG 1 0.309 1.454 -0.018 0.00 0.00 -0.324 N ATOM 16 C LIG 1 0.134 2.693 0.776 0.00 0.00 +0.142 C ATOM 17 C LIG 1 0.080 3.940 -0.108 0.00 0.00 +0.185 C ATOM 18 F LIG 1 -0.072 5.051 0.664 0.00 0.00 -0.244 F ATOM 19 C LIG 1 1.324 4.106 -0.981 0.00 0.00 +0.058 C ATOM 20 C LIG 1 2.013 2.772 -1.306 0.00 0.00 +0.071 C ATOM 21 C LIG 1 0.969 1.621 -1.334 0.00 0.00 +0.123 C BRANCH 20 22 ATOM 22 N LIG 1 3.082 2.543 -0.323 0.00 0.00 -0.326 NA ATOM 23 H LIG 1 3.412 1.578 -0.380 0.00 0.00 +0.119 HD ATOM 24 H LIG 1 3.886 3.134 -0.531 0.00 0.00 +0.119 HD ENDBRANCH 20 22 ENDBRANCH 2 15 BRANCH 1 25 ATOM 25 C LIG 1 0.369 -0.850 1.733 0.00 0.00 +0.161 C BRANCH 25 30 ATOM 26 C LIG 1 4.993 -1.150 0.344 0.00 0.00 +0.147 A ATOM 27 C LIG 1 3.617 -1.431 0.301 0.00 0.00 +0.147 A ATOM 28 N LIG 1 2.849 -2.195 -0.553 0.00 0.00 -0.231 NA ATOM 29 C LIG 1 1.619 -2.068 -0.099 0.00 0.00 +0.202 A ATOM 30 N LIG 1 1.556 -1.240 0.993 0.00 0.00 -0.310 N ATOM 31 C LIG 1 2.836 -0.859 1.292 0.00 0.00 +0.166 A ATOM 32 N LIG 1 3.252 -0.089 2.310 0.00 0.00 -0.216 NA ATOM 33 C LIG 1 4.583 0.110 2.250 0.00 0.00 +0.225 A ATOM 34 N LIG 1 5.464 -0.371 1.343 0.00 0.00 -0.219 NA BRANCH 26 35 ATOM 35 N LIG 1 5.899 -1.641 -0.588 0.00 0.00 -0.341 N ATOM 36 H LIG 1 6.839 -1.671 -0.215 0.00 0.00 +0.144 HD ATOM 37 H LIG 1 5.562 -2.469 -1.069 0.00 0.00 +0.144 HD ENDBRANCH 26 35 ENDBRANCH 25 30 ENDBRANCH 1 25 TORSDOF 6