REMARK Name = BDB059198 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.220 0.621 0.835 0.00 0.00 -0.278 N ATOM 2 C LIG 1 -1.232 1.972 0.469 0.00 0.00 +0.307 C ATOM 3 N LIG 1 -2.441 2.605 0.664 0.00 0.00 -0.269 N ATOM 4 H LIG 1 -2.972 2.268 1.451 0.00 0.00 +0.156 HD ATOM 5 O LIG 1 -0.232 2.542 0.040 0.00 0.00 -0.252 OA ENDROOT BRANCH 1 6 ATOM 6 C LIG 1 0.069 -0.110 0.826 0.00 0.00 +0.080 C ATOM 7 C LIG 1 1.081 0.446 1.847 0.00 0.00 +0.038 C ATOM 8 C LIG 1 2.531 0.200 1.419 0.00 0.00 +0.086 C ATOM 9 N LIG 1 2.648 -1.112 0.781 0.00 0.00 -0.300 NA ATOM 10 C LIG 1 1.927 -1.177 -0.498 0.00 0.00 +0.086 C ATOM 11 C LIG 1 0.707 -0.247 -0.561 0.00 0.00 +0.038 C BRANCH 9 12 ATOM 12 C LIG 1 4.024 -1.648 0.760 0.00 0.00 +0.054 C ATOM 13 C LIG 1 4.009 -3.126 0.342 0.00 0.00 +0.024 C BRANCH 12 14 ATOM 14 C LIG 1 5.022 -0.817 -0.082 0.00 0.00 +0.018 C BRANCH 14 15 ATOM 15 C LIG 1 6.473 -1.291 0.057 0.00 0.00 -0.002 C ATOM 16 C LIG 1 7.432 -0.363 -0.673 0.00 0.00 +0.004 C ENDBRANCH 14 15 ENDBRANCH 12 14 ENDBRANCH 9 12 ENDBRANCH 1 6 BRANCH 3 17 ATOM 17 C LIG 1 -2.818 3.873 0.174 0.00 0.00 +0.035 A ATOM 18 C LIG 1 -3.950 4.475 0.738 0.00 0.00 +0.035 A ATOM 19 C LIG 1 -4.407 5.727 0.287 0.00 0.00 +0.057 A ATOM 20 C LIG 1 -3.708 6.375 -0.739 0.00 0.00 +0.012 A ATOM 21 C LIG 1 -2.589 5.775 -1.313 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -2.150 4.527 -0.862 0.00 0.00 +0.023 A BRANCH 19 23 ATOM 23 C LIG 1 -5.613 6.366 0.929 0.00 0.00 +0.417 C ATOM 24 F LIG 1 -5.321 6.931 2.132 0.00 0.00 -0.166 F ATOM 25 F LIG 1 -6.173 7.352 0.176 0.00 0.00 -0.166 F ATOM 26 F LIG 1 -6.612 5.471 1.171 0.00 0.00 -0.166 F ENDBRANCH 19 23 ENDBRANCH 3 17 BRANCH 1 27 ATOM 27 C LIG 1 -2.431 -0.210 0.946 0.00 0.00 +0.146 C BRANCH 27 29 ATOM 28 C LIG 1 -2.491 -2.404 -0.424 0.00 0.00 +0.038 A ATOM 29 C LIG 1 -2.718 -1.014 -0.309 0.00 0.00 -0.009 A ATOM 30 C LIG 1 -3.179 -0.304 -1.439 0.00 0.00 +0.007 A ATOM 31 C LIG 1 -3.422 -0.948 -2.649 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -3.218 -2.317 -2.751 0.00 0.00 +0.002 A ATOM 33 C LIG 1 -2.763 -3.038 -1.645 0.00 0.00 +0.023 A BRANCH 28 35 ATOM 34 C LIG 1 -1.452 -4.359 0.811 0.00 0.00 +0.241 C ATOM 35 N LIG 1 -2.071 -3.146 0.700 0.00 0.00 -0.282 N ATOM 36 H LIG 1 -2.340 -2.804 1.612 0.00 0.00 +0.155 HD ATOM 37 O LIG 1 -1.485 -4.960 1.883 0.00 0.00 -0.271 OA BRANCH 34 39 ATOM 38 C LIG 1 -0.305 -6.158 -0.398 0.00 0.00 +0.013 C ATOM 39 C LIG 1 -0.656 -4.867 -0.334 0.00 0.00 +0.060 C ENDBRANCH 34 39 ENDBRANCH 28 35 ENDBRANCH 27 29 ENDBRANCH 1 27 TORSDOF 10