REMARK Name = BDB056150 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.582 -0.686 0.290 0.00 0.00 +0.186 A ATOM 2 C LIG 1 1.198 -1.931 0.507 0.00 0.00 +0.073 A ATOM 3 C LIG 1 0.615 -3.038 -0.120 0.00 0.00 +0.171 A ATOM 4 C LIG 1 -0.546 -2.915 -0.898 0.00 0.00 +0.171 A ATOM 5 C LIG 1 -1.169 -1.679 -1.108 0.00 0.00 +0.073 A ATOM 6 C LIG 1 -0.588 -0.566 -0.479 0.00 0.00 +0.186 A ENDROOT BRANCH 2 7 ATOM 7 C LIG 1 2.404 -2.055 1.337 0.00 0.00 -0.010 A ATOM 8 C LIG 1 3.682 -1.990 0.759 0.00 0.00 +0.012 A ATOM 9 C LIG 1 4.827 -2.082 1.553 0.00 0.00 +0.046 A ATOM 10 C LIG 1 4.701 -2.240 2.927 0.00 0.00 +0.117 A ATOM 11 C LIG 1 3.447 -2.311 3.524 0.00 0.00 +0.046 A ATOM 12 C LIG 1 2.301 -2.217 2.729 0.00 0.00 +0.012 A BRANCH 10 13 ATOM 13 O LIG 1 5.844 -2.317 3.666 0.00 0.00 -0.507 OA ATOM 14 H LIG 1 5.601 -2.500 4.589 0.00 0.00 +0.292 HD ENDBRANCH 10 13 ENDBRANCH 2 7 BRANCH 5 15 ATOM 15 C LIG 1 -2.378 -1.554 -1.932 0.00 0.00 -0.010 A ATOM 16 C LIG 1 -2.282 -1.401 -3.325 0.00 0.00 +0.012 A ATOM 17 C LIG 1 -3.429 -1.266 -4.112 0.00 0.00 +0.046 A ATOM 18 C LIG 1 -4.680 -1.285 -3.506 0.00 0.00 +0.117 A ATOM 19 C LIG 1 -4.802 -1.442 -2.131 0.00 0.00 +0.046 A ATOM 20 C LIG 1 -3.654 -1.575 -1.345 0.00 0.00 +0.012 A BRANCH 18 21 ATOM 21 O LIG 1 -5.824 -1.146 -4.235 0.00 0.00 -0.507 OA ATOM 22 H LIG 1 -5.585 -1.096 -5.176 0.00 0.00 +0.292 HD ENDBRANCH 18 21 ENDBRANCH 5 15 BRANCH 3 23 ATOM 23 O LIG 1 1.188 -4.280 -0.003 0.00 0.00 -0.503 OA ATOM 24 H LIG 1 0.933 -4.772 -0.807 0.00 0.00 +0.292 HD ENDBRANCH 3 23 BRANCH 4 25 ATOM 25 O LIG 1 -1.076 -4.061 -1.438 0.00 0.00 -0.503 OA ATOM 26 H LIG 1 -1.312 -4.623 -0.673 0.00 0.00 +0.292 HD ENDBRANCH 4 25 BRANCH 1 27 ATOM 27 O LIG 1 1.115 0.462 0.892 0.00 0.00 -0.421 OA BRANCH 27 29 ATOM 28 O LIG 1 2.341 0.790 -1.067 0.00 0.00 -0.250 OA ATOM 29 C LIG 1 2.069 1.085 0.091 0.00 0.00 +0.317 C BRANCH 29 30 ATOM 30 C LIG 1 2.678 2.233 0.867 0.00 0.00 +0.156 C BRANCH 30 31 ATOM 31 C LIG 1 4.179 2.299 0.744 0.00 0.00 -0.037 A ATOM 32 C LIG 1 4.781 3.029 -0.290 0.00 0.00 +0.004 A ATOM 33 C LIG 1 6.172 3.066 -0.409 0.00 0.00 +0.000 A ATOM 34 C LIG 1 6.971 2.371 0.497 0.00 0.00 +0.000 A ATOM 35 C LIG 1 6.382 1.635 1.524 0.00 0.00 +0.000 A ATOM 36 C LIG 1 4.992 1.599 1.647 0.00 0.00 +0.004 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 1 27 BRANCH 6 37 ATOM 37 O LIG 1 -1.149 0.705 -0.663 0.00 0.00 -0.421 OA BRANCH 37 38 ATOM 38 C LIG 1 -2.064 1.031 0.334 0.00 0.00 +0.317 C ATOM 39 O LIG 1 -2.317 0.361 1.328 0.00 0.00 -0.250 OA BRANCH 38 40 ATOM 40 C LIG 1 -2.675 2.378 0.014 0.00 0.00 +0.156 C BRANCH 40 41 ATOM 41 C LIG 1 -4.182 2.364 0.059 0.00 0.00 -0.037 A ATOM 42 C LIG 1 -4.863 2.630 1.255 0.00 0.00 +0.004 A ATOM 43 C LIG 1 -6.258 2.596 1.295 0.00 0.00 +0.000 A ATOM 44 C LIG 1 -6.983 2.289 0.145 0.00 0.00 +0.000 A ATOM 45 C LIG 1 -6.315 2.014 -1.046 0.00 0.00 +0.000 A ATOM 46 C LIG 1 -4.920 2.050 -1.091 0.00 0.00 +0.004 A ENDBRANCH 40 41 ENDBRANCH 38 40 ENDBRANCH 37 38 ENDBRANCH 6 37 TORSDOF 14