REMARK Name = BDB010763 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.765 -0.994 0.181 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.495 -1.479 -0.132 0.00 0.00 +0.128 A ATOM 3 C LIG 1 -0.174 -2.807 0.110 0.00 0.00 +0.184 A ATOM 4 N LIG 1 1.110 -3.091 -0.246 0.00 0.00 -0.212 NA ATOM 5 C LIG 1 1.588 -1.972 -0.745 0.00 0.00 +0.123 A ATOM 6 N LIG 1 -1.024 -3.708 0.620 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -2.231 -3.186 0.847 0.00 0.00 +0.242 A ATOM 8 N LIG 1 0.652 -0.962 -0.699 0.00 0.00 -0.318 N ATOM 9 N LIG 1 -2.642 -1.901 0.655 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 3.061 -1.878 -1.316 0.00 0.00 +0.054 C ATOM 11 C LIG 1 3.231 -1.876 -2.823 0.00 0.00 +0.020 C ATOM 12 C LIG 1 3.576 -3.108 -2.049 0.00 0.00 +0.020 C BRANCH 10 13 ATOM 13 C LIG 1 4.034 -1.147 -0.410 0.00 0.00 -0.034 A ATOM 14 C LIG 1 4.550 0.123 -0.725 0.00 0.00 +0.004 A ATOM 15 C LIG 1 5.425 0.791 0.136 0.00 0.00 +0.000 A ATOM 16 C LIG 1 5.807 0.201 1.337 0.00 0.00 +0.000 A ATOM 17 C LIG 1 5.316 -1.056 1.675 0.00 0.00 +0.000 A ATOM 18 C LIG 1 4.442 -1.719 0.810 0.00 0.00 +0.004 A ENDBRANCH 10 13 ENDBRANCH 5 10 BRANCH 1 19 ATOM 19 N LIG 1 -2.118 0.332 0.012 0.00 0.00 -0.324 N ATOM 20 H LIG 1 -1.337 0.941 0.235 0.00 0.00 +0.148 HD BRANCH 19 22 ATOM 21 C LIG 1 -3.753 0.571 1.899 0.00 0.00 +0.028 C ATOM 22 C LIG 1 -3.383 0.921 0.460 0.00 0.00 +0.072 C BRANCH 22 23 ATOM 23 C LIG 1 -4.566 0.721 -0.491 0.00 0.00 +0.009 C ATOM 24 C LIG 1 -4.377 1.186 -1.964 0.00 0.00 +0.005 C ATOM 25 C LIG 1 -5.426 0.122 -2.351 0.00 0.00 +0.001 C ATOM 26 C LIG 1 -4.988 -0.654 -1.090 0.00 0.00 +0.005 C ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 1 19 BRANCH 7 27 ATOM 27 C LIG 1 -3.306 -4.105 1.365 0.00 0.00 +0.375 C ATOM 28 O LIG 1 -3.178 -5.281 1.655 0.00 0.00 -0.242 OA BRANCH 27 29 ATOM 29 O LIG 1 -4.491 -3.438 1.472 0.00 0.00 -0.475 OA ATOM 30 H LIG 1 -4.361 -2.507 1.177 0.00 0.00 +0.296 HD ENDBRANCH 27 29 ENDBRANCH 7 27 BRANCH 8 31 ATOM 31 C LIG 1 0.821 0.361 -1.282 0.00 0.00 +0.158 C BRANCH 31 32 ATOM 32 C LIG 1 1.005 1.472 -0.270 0.00 0.00 -0.028 A ATOM 33 C LIG 1 0.608 2.772 -0.624 0.00 0.00 +0.006 A ATOM 34 C LIG 1 0.774 3.839 0.263 0.00 0.00 +0.013 A ATOM 35 C LIG 1 1.361 3.637 1.519 0.00 0.00 +0.055 A ATOM 36 C LIG 1 1.765 2.343 1.872 0.00 0.00 +0.013 A ATOM 37 C LIG 1 1.596 1.275 0.986 0.00 0.00 +0.006 A BRANCH 35 38 ATOM 38 C LIG 1 1.526 4.786 2.484 0.00 0.00 +0.417 C ATOM 39 F LIG 1 0.422 4.967 3.260 0.00 0.00 -0.166 F ATOM 40 F LIG 1 2.569 4.621 3.345 0.00 0.00 -0.166 F ATOM 41 F LIG 1 1.744 5.977 1.860 0.00 0.00 -0.166 F ENDBRANCH 35 38 ENDBRANCH 31 32 ENDBRANCH 8 31 TORSDOF 10