REMARK Name = BDB058497 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.069 0.746 0.683 0.00 0.00 -0.003 A ATOM 2 C LIG 1 0.769 -0.562 1.044 0.00 0.00 +0.027 A ATOM 3 S LIG 1 2.182 -1.416 1.526 0.00 0.00 -0.091 S ATOM 4 C LIG 1 3.194 -0.067 1.252 0.00 0.00 +0.005 A ATOM 5 C LIG 1 2.470 1.021 0.814 0.00 0.00 +0.021 A ENDROOT BRANCH 1 9 ATOM 6 C LIG 1 -1.890 3.565 -0.615 0.00 0.00 -0.018 A ATOM 7 C LIG 1 -1.094 3.815 0.515 0.00 0.00 +0.009 A ATOM 8 C LIG 1 -0.126 2.896 0.935 0.00 0.00 +0.009 A ATOM 9 C LIG 1 0.062 1.701 0.234 0.00 0.00 -0.017 A ATOM 10 C LIG 1 -0.715 1.444 -0.899 0.00 0.00 +0.009 A ATOM 11 C LIG 1 -1.681 2.366 -1.315 0.00 0.00 +0.009 A BRANCH 6 15 ATOM 12 C LIG 1 -4.886 6.384 -1.884 0.00 0.00 +0.120 A ATOM 13 C LIG 1 -5.215 5.046 -1.669 0.00 0.00 +0.046 A ATOM 14 C LIG 1 -4.243 4.128 -1.258 0.00 0.00 +0.012 A ATOM 15 C LIG 1 -2.915 4.529 -1.049 0.00 0.00 -0.018 A ATOM 16 C LIG 1 -2.598 5.879 -1.268 0.00 0.00 +0.012 A ATOM 17 C LIG 1 -3.571 6.799 -1.681 0.00 0.00 +0.046 A BRANCH 12 19 ATOM 18 C LIG 1 -5.636 8.541 -2.542 0.00 0.00 +0.277 C ATOM 19 O LIG 1 -5.928 7.174 -2.282 0.00 0.00 -0.495 OA ENDBRANCH 12 19 ENDBRANCH 6 15 ENDBRANCH 1 9 BRANCH 2 20 ATOM 20 C LIG 1 -0.521 -1.263 1.100 0.00 0.00 -0.011 A ATOM 21 C LIG 1 -0.744 -2.423 0.349 0.00 0.00 +0.009 A ATOM 22 C LIG 1 -1.983 -3.073 0.392 0.00 0.00 +0.009 A ATOM 23 C LIG 1 -3.033 -2.581 1.184 0.00 0.00 -0.018 A ATOM 24 C LIG 1 -2.801 -1.418 1.933 0.00 0.00 +0.009 A ATOM 25 C LIG 1 -1.563 -0.767 1.893 0.00 0.00 +0.009 A BRANCH 23 26 ATOM 26 C LIG 1 -4.337 -3.263 1.224 0.00 0.00 -0.018 A ATOM 27 C LIG 1 -5.041 -3.551 0.046 0.00 0.00 +0.012 A ATOM 28 C LIG 1 -6.280 -4.197 0.089 0.00 0.00 +0.046 A ATOM 29 C LIG 1 -6.847 -4.572 1.308 0.00 0.00 +0.120 A ATOM 30 C LIG 1 -6.160 -4.294 2.488 0.00 0.00 +0.046 A ATOM 31 C LIG 1 -4.918 -3.646 2.444 0.00 0.00 +0.012 A BRANCH 29 32 ATOM 32 O LIG 1 -8.060 -5.194 1.209 0.00 0.00 -0.495 OA ATOM 33 C LIG 1 -8.691 -5.569 2.427 0.00 0.00 +0.277 C ENDBRANCH 29 32 ENDBRANCH 23 26 ENDBRANCH 2 20 BRANCH 4 34 ATOM 34 C LIG 1 4.671 -0.163 1.493 0.00 0.00 +0.123 C BRANCH 34 35 ATOM 35 N LIG 1 5.353 -0.571 0.265 0.00 0.00 -0.311 NA ATOM 36 H LIG 1 5.114 0.077 -0.484 0.00 0.00 +0.122 HD BRANCH 35 37 ATOM 37 C LIG 1 6.802 -0.615 0.448 0.00 0.00 +0.084 C BRANCH 37 38 ATOM 38 C LIG 1 7.509 -1.074 -0.842 0.00 0.00 +0.005 C ATOM 39 C LIG 1 9.041 -1.039 -0.671 0.00 0.00 +0.020 C ATOM 40 C LIG 1 9.609 -2.422 -0.367 0.00 0.00 +0.081 C ATOM 41 N LIG 1 9.351 -3.384 -1.438 0.00 0.00 -0.316 NA ATOM 42 H LIG 1 9.383 -4.327 -1.052 0.00 0.00 +0.122 HD ATOM 43 C LIG 1 8.082 -3.174 -2.136 0.00 0.00 +0.081 C ATOM 44 C LIG 1 7.032 -2.471 -1.282 0.00 0.00 +0.020 C ENDBRANCH 37 38 ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 4 34 TORSDOF 10