REMARK Name = BDB062736 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.214 0.343 -0.402 0.00 0.00 -0.010 A ATOM 2 C LIG 1 0.923 -0.214 -0.441 0.00 0.00 -0.026 A ATOM 3 C LIG 1 0.669 -1.691 -0.284 0.00 0.00 +0.055 C ATOM 4 C LIG 1 -0.587 -2.095 -1.044 0.00 0.00 +0.113 C ATOM 5 N LIG 1 -1.732 -1.270 -0.688 0.00 0.00 -0.288 N ATOM 6 C LIG 1 -1.580 0.109 -0.572 0.00 0.00 +0.247 C ATOM 7 O LIG 1 -2.514 0.903 -0.494 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.183 0.645 -0.558 0.00 0.00 +0.041 A ATOM 9 C LIG 1 0.001 2.035 -0.647 0.00 0.00 +0.018 A ATOM 10 C LIG 1 1.285 2.592 -0.622 0.00 0.00 -0.026 A ATOM 11 C LIG 1 2.386 1.733 -0.503 0.00 0.00 +0.014 A ENDROOT BRANCH 1 15 ATOM 12 N LIG 1 5.064 -1.561 0.638 0.00 0.00 -0.271 N ATOM 13 N LIG 1 5.217 -1.786 -0.681 0.00 0.00 -0.167 NA ATOM 14 C LIG 1 4.197 -1.115 -1.259 0.00 0.00 +0.173 A ATOM 15 C LIG 1 3.396 -0.478 -0.270 0.00 0.00 +0.032 A ATOM 16 C LIG 1 3.984 -0.785 0.936 0.00 0.00 +0.117 A BRANCH 14 17 ATOM 17 C LIG 1 3.965 -1.074 -2.744 0.00 0.00 +0.437 C ATOM 18 F LIG 1 2.727 -1.541 -3.071 0.00 0.00 -0.164 F ATOM 19 F LIG 1 4.034 0.198 -3.229 0.00 0.00 -0.164 F ATOM 20 F LIG 1 4.855 -1.811 -3.460 0.00 0.00 -0.164 F ENDBRANCH 14 17 BRANCH 12 22 ATOM 21 C LIG 1 7.257 -1.305 1.731 0.00 0.00 +0.029 C ATOM 22 C LIG 1 5.998 -2.142 1.584 0.00 0.00 +0.140 C ENDBRANCH 12 22 ENDBRANCH 1 15 BRANCH 5 23 ATOM 23 C LIG 1 -3.068 -1.882 -0.805 0.00 0.00 +0.128 C BRANCH 23 24 ATOM 24 C LIG 1 -3.900 -1.796 0.475 0.00 0.00 +0.065 A ATOM 25 N LIG 1 -3.763 -2.836 1.347 0.00 0.00 -0.258 NA ATOM 26 C LIG 1 -4.475 -2.794 2.492 0.00 0.00 +0.114 A ATOM 27 C LIG 1 -5.330 -1.764 2.826 0.00 0.00 +0.065 A ATOM 28 C LIG 1 -5.474 -0.708 1.935 0.00 0.00 +0.123 A ATOM 29 C LIG 1 -4.744 -0.718 0.750 0.00 0.00 +0.070 A BRANCH 28 30 ATOM 30 O LIG 1 -6.346 0.268 2.334 0.00 0.00 -0.495 OA ATOM 31 C LIG 1 -6.593 1.324 1.411 0.00 0.00 +0.277 C ENDBRANCH 28 30 ENDBRANCH 23 24 BRANCH 23 32 ATOM 32 C LIG 1 -3.790 -1.417 -2.053 0.00 0.00 +0.015 C ATOM 33 C LIG 1 -3.464 -2.034 -3.393 0.00 0.00 +0.006 C ATOM 34 C LIG 1 -4.793 -2.308 -2.748 0.00 0.00 +0.006 C ENDBRANCH 23 32 ENDBRANCH 5 23 BRANCH 10 35 ATOM 35 C LIG 1 1.475 4.087 -0.702 0.00 0.00 +0.157 C BRANCH 35 36 ATOM 36 N LIG 1 1.903 4.637 0.572 0.00 0.00 -0.332 N ATOM 37 C LIG 1 3.159 5.084 0.869 0.00 0.00 +0.199 A ATOM 38 N LIG 1 3.228 5.538 2.101 0.00 0.00 -0.244 NA ATOM 39 C LIG 1 1.964 5.391 2.612 0.00 0.00 +0.130 A ATOM 40 C LIG 1 1.120 4.841 1.675 0.00 0.00 +0.107 A ENDBRANCH 35 36 ENDBRANCH 10 35 TORSDOF 9