REMARK Name = BDB054541 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.795 -1.623 0.194 0.00 0.00 +0.178 A ATOM 2 C LIG 1 0.414 -1.684 0.092 0.00 0.00 +0.087 A ATOM 3 C LIG 1 -0.027 -0.817 1.153 0.00 0.00 +0.102 A ATOM 4 N LIG 1 1.015 -0.382 1.875 0.00 0.00 -0.081 NA ATOM 5 O LIG 1 2.141 -0.884 1.277 0.00 0.00 -0.354 OA ENDROOT BRANCH 3 6 ATOM 6 C LIG 1 -1.427 -0.333 1.501 0.00 0.00 +0.092 C ATOM 7 C LIG 1 -1.849 0.930 0.673 0.00 0.00 +0.102 C ATOM 8 C LIG 1 -1.272 2.203 1.332 0.00 0.00 +0.055 C ATOM 9 C LIG 1 -1.669 2.312 2.799 0.00 0.00 +0.084 C ATOM 10 N LIG 1 -1.164 1.172 3.549 0.00 0.00 -0.315 NA ATOM 11 H LIG 1 -1.406 1.260 4.536 0.00 0.00 +0.122 HD ATOM 12 C LIG 1 -1.639 -0.109 3.025 0.00 0.00 +0.094 C BRANCH 7 13 ATOM 13 C LIG 1 -3.366 1.101 0.428 0.00 0.00 -0.013 A ATOM 14 C LIG 1 -4.356 0.276 0.988 0.00 0.00 +0.047 A ATOM 15 C LIG 1 -5.709 0.494 0.713 0.00 0.00 +0.159 A ATOM 16 F LIG 1 -6.622 -0.312 1.272 0.00 0.00 -0.202 F ATOM 17 C LIG 1 -6.108 1.523 -0.125 0.00 0.00 +0.158 A ATOM 18 F LIG 1 -7.408 1.723 -0.382 0.00 0.00 -0.202 F ATOM 19 C LIG 1 -5.160 2.347 -0.709 0.00 0.00 +0.041 A ATOM 20 C LIG 1 -3.805 2.133 -0.438 0.00 0.00 +0.009 A ENDBRANCH 7 13 BRANCH 7 21 ATOM 21 O LIG 1 -1.335 0.801 -0.669 0.00 0.00 -0.383 OA ATOM 22 H LIG 1 -0.453 1.239 -0.715 0.00 0.00 +0.211 HD ENDBRANCH 7 21 ENDBRANCH 3 6 BRANCH 1 24 ATOM 23 C LIG 1 3.237 -1.695 -1.867 0.00 0.00 -0.035 A ATOM 24 C LIG 1 2.932 -2.132 -0.560 0.00 0.00 +0.024 A ATOM 25 C LIG 1 3.768 -3.075 0.064 0.00 0.00 +0.012 A ATOM 26 C LIG 1 4.883 -3.594 -0.596 0.00 0.00 +0.001 A ATOM 27 C LIG 1 5.178 -3.175 -1.888 0.00 0.00 +0.000 A ATOM 28 C LIG 1 4.364 -2.234 -2.518 0.00 0.00 +0.004 A BRANCH 23 29 ATOM 29 C LIG 1 2.417 -0.654 -2.607 0.00 0.00 +0.054 C BRANCH 29 30 ATOM 30 C LIG 1 3.093 0.718 -2.685 0.00 0.00 +0.109 C BRANCH 30 33 ATOM 31 C LIG 1 2.760 2.563 0.613 0.00 0.00 +0.109 C ATOM 32 C LIG 1 2.301 1.933 -0.676 0.00 0.00 +0.210 C ATOM 33 N LIG 1 3.315 1.346 -1.396 0.00 0.00 -0.315 N ATOM 34 H LIG 1 4.180 1.132 -0.914 0.00 0.00 +0.149 HD ATOM 35 O LIG 1 1.126 1.952 -1.034 0.00 0.00 -0.276 OA ENDBRANCH 30 33 ENDBRANCH 29 30 ENDBRANCH 23 29 ENDBRANCH 1 24 BRANCH 2 36 ATOM 36 C LIG 1 -0.300 -2.452 -0.926 0.00 0.00 +0.166 C ATOM 37 O LIG 1 0.308 -3.065 -1.807 0.00 0.00 -0.292 OA ATOM 38 C LIG 1 -1.801 -2.556 -0.901 0.00 0.00 +0.092 C ENDBRANCH 2 36 TORSDOF 8