REMARK Name = BDB033514 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.390 0.812 -1.150 0.00 0.00 -0.338 N ATOM 2 H LIG 1 -0.297 1.302 -0.259 0.00 0.00 +0.146 HD ENDROOT BRANCH 1 8 ATOM 3 C LIG 1 3.023 -0.615 -0.938 0.00 0.00 +0.071 A ATOM 4 C LIG 1 3.293 -0.849 -2.288 0.00 0.00 +0.145 A ATOM 5 F LIG 1 4.464 -1.401 -2.646 0.00 0.00 -0.204 F ATOM 6 C LIG 1 2.369 -0.536 -3.276 0.00 0.00 +0.042 A ATOM 7 C LIG 1 1.145 0.032 -2.917 0.00 0.00 +0.026 A ATOM 8 C LIG 1 0.849 0.317 -1.577 0.00 0.00 +0.029 A ATOM 9 C LIG 1 1.792 -0.049 -0.596 0.00 0.00 +0.049 A BRANCH 3 12 ATOM 10 O LIG 1 3.129 -0.268 2.016 0.00 0.00 -0.275 OA ATOM 11 C LIG 1 4.024 -0.795 1.359 0.00 0.00 +0.222 C ATOM 12 N LIG 1 4.022 -0.984 -0.010 0.00 0.00 -0.283 N ATOM 13 H LIG 1 4.864 -1.373 -0.427 0.00 0.00 +0.155 HD BRANCH 11 14 ATOM 14 C LIG 1 5.253 -1.370 2.051 0.00 0.00 +0.131 C BRANCH 14 15 ATOM 15 C LIG 1 6.566 -0.914 1.459 0.00 0.00 -0.039 A ATOM 16 C LIG 1 7.452 -1.841 0.891 0.00 0.00 +0.004 A ATOM 17 C LIG 1 8.659 -1.413 0.335 0.00 0.00 +0.000 A ATOM 18 C LIG 1 8.992 -0.060 0.344 0.00 0.00 +0.000 A ATOM 19 C LIG 1 8.121 0.868 0.913 0.00 0.00 +0.000 A ATOM 20 C LIG 1 6.915 0.444 1.470 0.00 0.00 +0.004 A ENDBRANCH 14 15 ENDBRANCH 11 14 ENDBRANCH 3 12 ENDBRANCH 1 8 BRANCH 1 21 ATOM 21 C LIG 1 -1.219 1.581 -2.080 0.00 0.00 +0.157 C BRANCH 21 22 ATOM 22 C LIG 1 -2.467 2.080 -1.375 0.00 0.00 +0.059 A ATOM 23 N LIG 1 -2.596 3.417 -1.190 0.00 0.00 -0.258 NA ATOM 24 C LIG 1 -3.706 3.848 -0.554 0.00 0.00 +0.112 A ATOM 25 C LIG 1 -4.702 3.009 -0.084 0.00 0.00 +0.029 A ATOM 26 C LIG 1 -4.560 1.633 -0.263 0.00 0.00 +0.002 A ATOM 27 C LIG 1 -3.421 1.166 -0.923 0.00 0.00 +0.035 A BRANCH 26 28 ATOM 28 C LIG 1 -5.584 0.711 0.230 0.00 0.00 +0.049 A ATOM 29 N LIG 1 -5.296 -0.552 0.707 0.00 0.00 -0.339 N ATOM 30 H LIG 1 -4.379 -0.965 0.783 0.00 0.00 +0.167 HD ATOM 31 C LIG 1 -6.437 -1.190 1.105 0.00 0.00 +0.139 A ATOM 32 C LIG 1 -7.503 -0.327 0.895 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -8.784 -0.785 1.241 0.00 0.00 +0.013 A ATOM 34 C LIG 1 -8.885 -2.073 1.770 0.00 0.00 +0.020 A ATOM 35 C LIG 1 -7.731 -2.831 1.928 0.00 0.00 +0.113 A ATOM 36 N LIG 1 -6.477 -2.436 1.610 0.00 0.00 -0.237 NA ATOM 37 C LIG 1 -6.959 0.867 0.351 0.00 0.00 +0.037 A ENDBRANCH 26 28 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 7