REMARK Name = BDB041427 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.823 1.650 1.261 0.00 0.00 -0.019 A ATOM 2 C LIG 1 -0.144 1.940 2.471 0.00 0.00 +0.024 A ATOM 3 C LIG 1 1.252 2.012 2.535 0.00 0.00 -0.010 A ATOM 4 C LIG 1 1.708 2.319 3.861 0.00 0.00 +0.016 A ATOM 5 C LIG 1 0.681 2.470 4.759 0.00 0.00 +0.046 A ATOM 6 C LIG 1 1.997 1.781 1.353 0.00 0.00 +0.013 A ATOM 7 C LIG 1 1.361 1.487 0.138 0.00 0.00 -0.039 A ATOM 8 S LIG 1 -0.839 2.246 4.028 0.00 0.00 -0.096 S ATOM 9 C LIG 1 -0.034 1.440 0.109 0.00 0.00 +0.010 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -2.330 1.533 1.144 0.00 0.00 +0.121 C BRANCH 10 19 ATOM 11 C LIG 1 -5.109 -0.960 1.820 0.00 0.00 +0.187 C ATOM 12 O LIG 1 -5.376 -1.460 0.498 0.00 0.00 -0.486 OA ATOM 13 C LIG 1 -4.410 -1.453 -0.464 0.00 0.00 +0.147 A ATOM 14 C LIG 1 -3.046 -1.186 -0.320 0.00 0.00 +0.097 A ATOM 15 N LIG 1 -2.186 -1.163 -1.381 0.00 0.00 -0.251 NA ATOM 16 C LIG 1 -2.693 -1.437 -2.604 0.00 0.00 +0.156 A ATOM 17 C LIG 1 -4.024 -1.732 -2.827 0.00 0.00 +0.138 A ATOM 18 C LIG 1 -2.421 -0.923 1.027 0.00 0.00 +0.144 C ATOM 19 N LIG 1 -2.880 0.292 1.717 0.00 0.00 -0.289 NA ATOM 20 C LIG 1 -4.892 -1.739 -1.746 0.00 0.00 +0.094 A ATOM 21 C LIG 1 -4.350 0.390 1.822 0.00 0.00 +0.129 C BRANCH 11 23 ATOM 22 C LIG 1 -7.429 0.166 1.835 0.00 0.00 +0.007 C ATOM 23 C LIG 1 -6.483 -0.822 2.509 0.00 0.00 +0.042 C ENDBRANCH 11 23 BRANCH 17 24 ATOM 24 O LIG 1 -4.448 -1.998 -4.093 0.00 0.00 -0.505 OA ATOM 25 H LIG 1 -5.397 -2.206 -4.068 0.00 0.00 +0.292 HD ENDBRANCH 17 24 ENDBRANCH 10 19 ENDBRANCH 1 10 BRANCH 7 26 ATOM 26 C LIG 1 2.155 1.237 -1.144 0.00 0.00 +0.060 C BRANCH 26 27 ATOM 27 C LIG 1 3.355 0.292 -0.954 0.00 0.00 -0.035 A ATOM 28 C LIG 1 3.153 -1.081 -0.627 0.00 0.00 -0.023 A ATOM 29 C LIG 1 1.787 -1.692 -0.463 0.00 0.00 +0.046 C ATOM 30 C LIG 1 4.285 -1.868 -0.419 0.00 0.00 +0.068 A ATOM 31 N LIG 1 4.355 -3.252 -0.128 0.00 0.00 -0.262 N ATOM 32 H LIG 1 3.745 -3.495 0.650 0.00 0.00 +0.168 HD ATOM 33 N LIG 1 5.747 -3.586 0.023 0.00 0.00 -0.161 NA ATOM 34 H LIG 1 5.940 -3.838 0.998 0.00 0.00 +0.168 HD ATOM 35 N LIG 1 6.511 -2.396 -0.276 0.00 0.00 -0.252 N ATOM 36 C LIG 1 7.596 -2.524 -1.242 0.00 0.00 +0.151 C ATOM 37 C LIG 1 5.583 -1.376 -0.569 0.00 0.00 +0.068 A ATOM 38 C LIG 1 5.799 -0.062 -0.913 0.00 0.00 +0.026 A ATOM 39 C LIG 1 4.685 0.766 -1.099 0.00 0.00 +0.006 A ENDBRANCH 26 27 BRANCH 26 40 ATOM 40 C LIG 1 2.372 2.546 -1.933 0.00 0.00 +0.133 C BRANCH 40 41 ATOM 41 C LIG 1 2.835 3.721 -1.112 0.00 0.00 +0.306 C ATOM 42 O LIG 1 3.886 3.829 -0.505 0.00 0.00 -0.251 OA BRANCH 41 43 ATOM 43 O LIG 1 1.946 4.735 -1.114 0.00 0.00 -0.481 OA ATOM 44 H LIG 1 2.349 5.406 -0.523 0.00 0.00 +0.295 HD ENDBRANCH 41 43 ENDBRANCH 40 41 ENDBRANCH 26 40 ENDBRANCH 7 26 TORSDOF 9