REMARK Name = BDB019625 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.559 1.581 0.766 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -1.575 2.522 0.976 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -2.866 2.310 0.472 0.00 0.00 -0.015 A ATOM 4 C LIG 1 -3.123 1.124 -0.234 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -2.117 0.167 -0.449 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -0.834 0.400 0.067 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -3.929 3.296 0.700 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -4.408 4.159 -0.302 0.00 0.00 +0.049 A ATOM 9 C LIG 1 -3.843 4.140 -1.695 0.00 0.00 +0.066 C ATOM 10 N LIG 1 -5.399 5.065 -0.089 0.00 0.00 -0.224 NA ATOM 11 C LIG 1 -5.926 5.130 1.149 0.00 0.00 +0.213 A ATOM 12 F LIG 1 -6.903 6.023 1.361 0.00 0.00 -0.184 F ATOM 13 C LIG 1 -5.521 4.335 2.202 0.00 0.00 +0.060 A ATOM 14 C LIG 1 -4.510 3.408 1.973 0.00 0.00 +0.014 A ENDBRANCH 3 7 BRANCH 1 17 ATOM 15 N LIG 1 1.857 1.339 0.645 0.00 0.00 -0.305 N ATOM 16 H LIG 1 1.716 0.958 -0.280 0.00 0.00 +0.150 HD ATOM 17 C LIG 1 0.786 1.857 1.338 0.00 0.00 +0.245 C ATOM 18 O LIG 1 0.893 2.529 2.357 0.00 0.00 -0.270 OA BRANCH 15 19 ATOM 19 C LIG 1 3.228 1.579 1.063 0.00 0.00 +0.101 C ATOM 20 C LIG 1 3.688 2.990 0.683 0.00 0.00 +0.033 C BRANCH 19 23 ATOM 21 C LIG 1 5.338 -1.598 0.807 0.00 0.00 +0.124 A ATOM 22 C LIG 1 4.542 -0.564 1.309 0.00 0.00 +0.051 A ATOM 23 C LIG 1 4.117 0.491 0.488 0.00 0.00 -0.021 A ATOM 24 C LIG 1 4.494 0.471 -0.862 0.00 0.00 +0.051 A ATOM 25 C LIG 1 5.289 -0.558 -1.377 0.00 0.00 +0.124 A ATOM 26 C LIG 1 5.712 -1.592 -0.539 0.00 0.00 +0.091 A BRANCH 21 28 ATOM 27 C LIG 1 6.512 -3.612 1.294 0.00 0.00 +0.277 C ATOM 28 O LIG 1 5.674 -2.550 1.731 0.00 0.00 -0.495 OA ENDBRANCH 21 28 BRANCH 25 29 ATOM 29 O LIG 1 5.572 -0.436 -2.711 0.00 0.00 -0.495 OA ATOM 30 C LIG 1 6.411 -1.427 -3.290 0.00 0.00 +0.277 C ENDBRANCH 25 29 ENDBRANCH 19 23 ENDBRANCH 15 19 ENDBRANCH 1 17 BRANCH 5 31 ATOM 31 C LIG 1 -2.435 -1.120 -1.173 0.00 0.00 +0.138 C BRANCH 31 32 ATOM 32 N LIG 1 -3.086 -2.033 -0.261 0.00 0.00 -0.329 N ATOM 33 H LIG 1 -2.848 -1.925 0.718 0.00 0.00 +0.147 HD BRANCH 32 34 ATOM 34 C LIG 1 -3.535 -3.254 -0.674 0.00 0.00 +0.090 C ATOM 35 C LIG 1 -3.991 -4.261 0.345 0.00 0.00 +0.073 C ATOM 36 C LIG 1 -3.905 -5.516 -0.487 0.00 0.00 +0.031 C ATOM 37 C LIG 1 -4.176 -4.995 -1.885 0.00 0.00 +0.143 C ATOM 38 N LIG 1 -3.619 -3.629 -1.915 0.00 0.00 -0.273 NA ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 5 31 TORSDOF 9