REMARK Name = BDB026229 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.302 -0.976 -0.117 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.554 0.137 -0.310 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.942 0.002 -0.182 0.00 0.00 +0.036 A ATOM 4 C LIG 1 2.525 -1.236 0.140 0.00 0.00 +0.019 A ATOM 5 C LIG 1 1.661 -2.326 0.324 0.00 0.00 +0.133 A ATOM 6 F LIG 1 2.156 -3.530 0.651 0.00 0.00 -0.205 F ATOM 7 C LIG 1 0.276 -2.206 0.199 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.714 -2.495 -1.811 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.974 -1.521 -0.886 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.493 -1.656 0.501 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.726 -0.884 0.681 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.489 -1.292 1.536 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -2.972 -2.583 2.184 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -2.326 -0.376 1.065 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -1.698 -0.787 -0.215 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -2.448 -1.788 -0.996 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.987 -1.371 0.276 0.00 0.00 -0.010 A ATOM 18 C LIG 1 4.735 -0.459 1.034 0.00 0.00 +0.048 A ATOM 19 C LIG 1 6.122 -0.587 1.155 0.00 0.00 +0.139 A ATOM 20 F LIG 1 6.762 0.326 1.904 0.00 0.00 -0.205 F ATOM 21 C LIG 1 6.817 -1.621 0.528 0.00 0.00 +0.107 A ATOM 22 C LIG 1 6.077 -2.529 -0.228 0.00 0.00 +0.139 A ATOM 23 F LIG 1 6.662 -3.552 -0.868 0.00 0.00 -0.205 F ATOM 24 C LIG 1 4.688 -2.410 -0.354 0.00 0.00 +0.048 A BRANCH 21 25 ATOM 25 C LIG 1 8.290 -1.776 0.639 0.00 0.00 +0.247 C ATOM 26 O LIG 1 8.901 -2.685 0.092 0.00 0.00 -0.270 OA ATOM 27 N LIG 1 8.980 -0.862 1.385 0.00 0.00 -0.325 N ATOM 28 H LIG 1 9.983 -0.974 1.454 0.00 0.00 +0.145 HD ATOM 29 H LIG 1 8.545 -0.083 1.864 0.00 0.00 +0.145 HD ENDBRANCH 21 25 ENDBRANCH 4 17 BRANCH 2 30 ATOM 30 N LIG 1 -0.083 1.347 -0.660 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -1.090 1.233 -0.757 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 0.485 2.575 -0.884 0.00 0.00 +0.250 C ATOM 33 O LIG 1 1.667 2.882 -0.828 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -0.530 3.600 -1.248 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -1.334 4.311 -0.262 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -2.230 5.225 -0.682 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -2.401 5.508 -2.130 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -3.222 6.326 -2.522 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -1.589 4.796 -2.976 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -1.693 5.001 -3.964 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -0.669 3.867 -2.556 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -1.120 4.009 1.189 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -1.465 2.729 1.486 0.00 0.00 -0.166 F ATOM 44 F LIG 1 0.165 4.181 1.577 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -1.878 4.799 1.995 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 6