REMARK Name = BDB041766 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.114 -1.017 -1.842 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -2.111 -1.868 -0.729 0.00 0.00 +0.135 A ATOM 3 C LIG 1 -1.625 -1.524 0.513 0.00 0.00 +0.022 A ATOM 4 C LIG 1 -2.135 -2.493 1.390 0.00 0.00 +0.141 A ATOM 5 N LIG 1 -2.846 -3.420 0.750 0.00 0.00 -0.173 NA ATOM 6 C LIG 1 -0.849 -0.299 0.788 0.00 0.00 +0.083 C ATOM 7 C LIG 1 -1.066 0.769 -0.296 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -2.608 -3.167 -0.570 0.00 0.00 -0.218 N ATOM 9 C LIG 1 -1.663 0.300 -1.651 0.00 0.00 +0.242 C ATOM 10 O LIG 1 -1.822 1.165 -2.527 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.602 -0.761 0.893 0.00 0.00 -0.033 A ATOM 12 C LIG 1 1.283 -0.617 2.119 0.00 0.00 +0.027 A ATOM 13 C LIG 1 2.629 -0.990 2.268 0.00 0.00 +0.037 A ATOM 14 C LIG 1 3.293 -1.554 1.182 0.00 0.00 +0.061 A ATOM 15 C LIG 1 2.630 -1.698 -0.033 0.00 0.00 +0.125 A ATOM 16 F LIG 1 3.279 -2.240 -1.073 0.00 0.00 -0.205 F ATOM 17 C LIG 1 1.307 -1.302 -0.192 0.00 0.00 +0.042 A BRANCH 13 18 ATOM 18 N LIG 1 3.200 -0.824 3.542 0.00 0.00 -0.282 N ATOM 19 H LIG 1 2.554 -0.707 4.315 0.00 0.00 +0.155 HD ATOM 20 C LIG 1 4.488 -0.887 3.984 0.00 0.00 +0.241 C ATOM 21 O LIG 1 4.725 -1.049 5.180 0.00 0.00 -0.271 OA BRANCH 20 22 ATOM 22 C LIG 1 5.620 -0.687 3.055 0.00 0.00 +0.064 C ATOM 23 C LIG 1 5.765 0.477 2.399 0.00 0.00 -0.007 C BRANCH 23 24 ATOM 24 C LIG 1 6.976 0.824 1.577 0.00 0.00 +0.111 C BRANCH 24 25 ATOM 25 N LIG 1 6.729 1.334 0.227 0.00 0.00 -0.305 NA ATOM 26 C LIG 1 6.049 0.377 -0.637 0.00 0.00 +0.104 C ATOM 27 C LIG 1 6.069 2.634 0.209 0.00 0.00 +0.104 C ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 20 22 ENDBRANCH 13 18 ENDBRANCH 6 11 BRANCH 8 28 ATOM 28 C LIG 1 -2.760 -4.228 -1.501 0.00 0.00 +0.067 A ATOM 29 C LIG 1 -1.926 -4.322 -2.621 0.00 0.00 +0.028 A ATOM 30 C LIG 1 -2.078 -5.384 -3.516 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -3.045 -6.362 -3.284 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -3.848 -6.295 -2.146 0.00 0.00 +0.002 A ATOM 33 C LIG 1 -3.699 -5.238 -1.247 0.00 0.00 +0.028 A ENDBRANCH 8 28 BRANCH 7 34 ATOM 34 N LIG 1 -1.953 1.870 0.138 0.00 0.00 -0.299 N ATOM 35 H LIG 1 -2.520 2.273 -0.604 0.00 0.00 +0.150 HD ATOM 36 C LIG 1 -1.579 2.719 1.158 0.00 0.00 +0.245 C ATOM 37 O LIG 1 -0.592 2.527 1.857 0.00 0.00 -0.270 OA BRANCH 36 38 ATOM 38 C LIG 1 -2.431 3.924 1.361 0.00 0.00 +0.037 A ATOM 39 C LIG 1 -3.780 3.952 0.980 0.00 0.00 +0.025 A ATOM 40 C LIG 1 -4.558 5.105 1.188 0.00 0.00 +0.056 A ATOM 41 C LIG 1 -3.968 6.223 1.800 0.00 0.00 +0.012 A ATOM 42 C LIG 1 -2.628 6.194 2.191 0.00 0.00 +0.001 A ATOM 43 C LIG 1 -1.863 5.046 1.976 0.00 0.00 +0.013 A BRANCH 40 44 ATOM 44 C LIG 1 -6.017 5.120 0.799 0.00 0.00 +0.417 C ATOM 45 F LIG 1 -6.495 6.371 0.545 0.00 0.00 -0.166 F ATOM 46 F LIG 1 -6.268 4.390 -0.324 0.00 0.00 -0.166 F ATOM 47 F LIG 1 -6.817 4.601 1.770 0.00 0.00 -0.166 F ENDBRANCH 40 44 ENDBRANCH 36 38 ENDBRANCH 7 34 BRANCH 1 49 ATOM 48 C LIG 1 -2.057 -1.265 -4.335 0.00 0.00 +0.025 C ATOM 49 C LIG 1 -2.899 -1.251 -3.063 0.00 0.00 +0.112 C ENDBRANCH 1 49 TORSDOF 10