REMARK Name = BDB020528 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.529 0.471 -1.466 0.00 0.00 +0.011 A ATOM 2 C LIG 1 1.736 0.533 -0.712 0.00 0.00 +0.010 A ATOM 3 C LIG 1 2.964 0.650 -1.388 0.00 0.00 +0.072 A ATOM 4 N LIG 1 4.144 0.699 -0.752 0.00 0.00 -0.241 NA ATOM 5 C LIG 1 4.186 0.645 0.611 0.00 0.00 +0.135 A ATOM 6 C LIG 1 3.034 0.548 1.381 0.00 0.00 +0.049 A ATOM 7 C LIG 1 2.969 0.713 -2.773 0.00 0.00 +0.028 A ATOM 8 C LIG 1 1.792 0.667 -3.519 0.00 0.00 +0.003 A ATOM 9 C LIG 1 1.809 0.480 0.698 0.00 0.00 +0.022 A ATOM 10 C LIG 1 0.573 0.547 -2.866 0.00 0.00 +0.011 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -5.029 -0.592 -1.127 0.00 0.00 +0.041 C ATOM 12 C LIG 1 -3.962 -1.128 -0.179 0.00 0.00 +0.171 C ATOM 13 N LIG 1 -2.750 -0.335 -0.240 0.00 0.00 -0.318 N ATOM 14 C LIG 1 -1.698 -0.648 -1.057 0.00 0.00 +0.064 A ATOM 15 C LIG 1 -0.767 0.342 -0.822 0.00 0.00 +0.094 A ATOM 16 N LIG 1 -1.222 1.209 0.145 0.00 0.00 -0.232 NA ATOM 17 C LIG 1 -1.756 -1.843 -1.915 0.00 0.00 +0.163 C ATOM 18 N LIG 1 -2.517 -2.882 -1.233 0.00 0.00 -0.297 N ATOM 19 C LIG 1 -2.293 -4.248 -1.673 0.00 0.00 +0.132 C ATOM 20 C LIG 1 -2.419 0.777 0.480 0.00 0.00 +0.114 A ATOM 21 C LIG 1 -3.675 -2.595 -0.513 0.00 0.00 +0.238 C ATOM 22 O LIG 1 -4.474 -3.470 -0.170 0.00 0.00 -0.273 OA BRANCH 20 23 ATOM 23 C LIG 1 -3.299 1.459 1.565 0.00 0.00 +0.055 C ATOM 24 C LIG 1 -3.108 2.927 1.844 0.00 0.00 +0.012 C ATOM 25 C LIG 1 -4.343 2.455 1.135 0.00 0.00 +0.012 C ENDBRANCH 20 23 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 5.544 0.674 1.173 0.00 0.00 +0.246 A ATOM 27 O LIG 1 6.545 1.106 0.333 0.00 0.00 -0.442 OA ATOM 28 C LIG 1 7.676 1.035 1.086 0.00 0.00 +0.217 A ATOM 29 C LIG 1 7.329 0.570 2.327 0.00 0.00 +0.153 A ATOM 30 N LIG 1 5.978 0.340 2.376 0.00 0.00 -0.216 NA ENDBRANCH 5 26 BRANCH 6 31 ATOM 31 C LIG 1 3.050 0.520 2.879 0.00 0.00 +0.374 C ATOM 32 F LIG 1 3.558 -0.632 3.393 0.00 0.00 -0.204 F ATOM 33 F LIG 1 3.738 1.552 3.439 0.00 0.00 -0.204 F ENDBRANCH 6 31 TORSDOF 4