REMARK Name = BDB028398 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.015 -1.658 -1.427 0.00 0.00 -0.014 A ATOM 2 C LIG 1 -1.594 -0.683 -0.599 0.00 0.00 +0.019 A ATOM 3 C LIG 1 -2.336 0.369 -1.152 0.00 0.00 +0.013 A ATOM 4 C LIG 1 -2.501 0.434 -2.534 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -3.269 1.545 -3.115 0.00 0.00 +0.272 A ATOM 6 N LIG 1 -3.772 2.461 -2.224 0.00 0.00 -0.242 N ATOM 7 H LIG 1 -4.292 3.243 -2.612 0.00 0.00 +0.192 HD ATOM 8 N LIG 1 -3.632 2.428 -0.874 0.00 0.00 -0.174 NA ATOM 9 O LIG 1 -3.449 1.639 -4.324 0.00 0.00 -0.266 OA ATOM 10 C LIG 1 -1.939 -0.540 -3.367 0.00 0.00 +0.014 A ATOM 11 C LIG 1 -2.964 1.448 -0.337 0.00 0.00 +0.091 A ATOM 12 C LIG 1 -1.199 -1.585 -2.812 0.00 0.00 +0.009 A ENDROOT BRANCH 1 16 ATOM 13 C LIG 1 2.471 -4.267 0.994 0.00 0.00 +0.173 C ATOM 14 N LIG 1 1.320 -3.866 0.215 0.00 0.00 -0.266 N ATOM 15 C LIG 1 0.866 -2.583 -0.013 0.00 0.00 +0.078 A ATOM 16 C LIG 1 -0.223 -2.735 -0.864 0.00 0.00 +0.027 A ATOM 17 C LIG 1 -0.334 -4.128 -1.065 0.00 0.00 +0.143 A ATOM 18 N LIG 1 0.583 -4.818 -0.387 0.00 0.00 -0.179 NA BRANCH 15 19 ATOM 19 C LIG 1 1.497 -1.380 0.544 0.00 0.00 +0.019 A ATOM 20 C LIG 1 2.216 -0.461 -0.251 0.00 0.00 +0.069 A ATOM 21 C LIG 1 2.788 0.709 0.326 0.00 0.00 +0.000 A ATOM 22 C LIG 1 2.624 0.928 1.717 0.00 0.00 -0.017 A ATOM 23 C LIG 1 3.174 2.071 2.320 0.00 0.00 +0.008 A ATOM 24 C LIG 1 3.886 3.006 1.571 0.00 0.00 +0.001 A ATOM 25 C LIG 1 4.058 2.810 0.208 0.00 0.00 +0.001 A ATOM 26 C LIG 1 1.912 0.004 2.491 0.00 0.00 +0.009 A ATOM 27 C LIG 1 3.518 1.679 -0.407 0.00 0.00 +0.010 A ATOM 28 C LIG 1 1.353 -1.135 1.914 0.00 0.00 +0.012 A BRANCH 20 29 ATOM 29 C LIG 1 2.385 -0.719 -1.657 0.00 0.00 +0.100 C ATOM 30 N LIG 1 2.539 -0.914 -2.791 0.00 0.00 -0.191 NA ENDBRANCH 20 29 ENDBRANCH 15 19 ENDBRANCH 1 16 BRANCH 11 31 ATOM 31 C LIG 1 -2.820 1.424 1.192 0.00 0.00 +0.169 C BRANCH 31 32 ATOM 32 C LIG 1 -3.839 2.359 1.872 0.00 0.00 +0.364 C ATOM 33 F LIG 1 -3.381 3.640 1.865 0.00 0.00 -0.207 F ATOM 34 F LIG 1 -3.935 2.010 3.187 0.00 0.00 -0.207 F ENDBRANCH 31 32 BRANCH 31 35 ATOM 35 N LIG 1 -1.406 1.747 1.532 0.00 0.00 -0.318 NA ATOM 36 H LIG 1 -1.339 1.808 2.552 0.00 0.00 +0.119 HD ATOM 37 H LIG 1 -1.234 2.711 1.226 0.00 0.00 +0.119 HD ENDBRANCH 31 35 ENDBRANCH 11 31 TORSDOF 6