REMARK Name = BDB064363 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.978 0.639 -2.058 0.00 0.00 -0.292 N ATOM 2 C LIG 1 0.712 0.214 -2.437 0.00 0.00 +0.249 C ATOM 3 O LIG 1 0.569 -0.657 -3.299 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -0.528 0.721 -1.766 0.00 0.00 +0.059 A ATOM 5 C LIG 1 -1.538 -0.270 -1.681 0.00 0.00 +0.020 A ATOM 6 C LIG 1 -2.797 -0.021 -1.133 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -3.054 1.260 -0.657 0.00 0.00 +0.015 A ATOM 8 C LIG 1 -2.075 2.273 -0.714 0.00 0.00 +0.004 A ATOM 9 C LIG 1 -0.782 2.023 -1.285 0.00 0.00 +0.047 A ATOM 10 N LIG 1 0.145 3.061 -1.199 0.00 0.00 -0.341 N ATOM 11 H LIG 1 -0.263 3.992 -1.228 0.00 0.00 +0.146 HD ATOM 12 C LIG 1 1.525 2.998 -1.623 0.00 0.00 +0.120 C ATOM 13 C LIG 1 2.208 1.730 -1.126 0.00 0.00 +0.127 C ENDROOT BRANCH 8 14 ATOM 14 C LIG 1 -2.440 3.590 -0.145 0.00 0.00 -0.013 A ATOM 15 C LIG 1 -2.165 3.931 1.200 0.00 0.00 -0.040 A ATOM 16 C LIG 1 -1.469 2.970 2.128 0.00 0.00 +0.044 C ATOM 17 C LIG 1 -2.533 5.199 1.679 0.00 0.00 +0.042 A ATOM 18 C LIG 1 -3.169 6.107 0.840 0.00 0.00 +0.124 A ATOM 19 F LIG 1 -3.514 7.312 1.313 0.00 0.00 -0.205 F ATOM 20 C LIG 1 -3.450 5.786 -0.480 0.00 0.00 +0.039 A ATOM 21 C LIG 1 -3.088 4.531 -0.970 0.00 0.00 +0.011 A ENDBRANCH 8 14 BRANCH 1 22 ATOM 22 C LIG 1 3.133 -0.163 -2.458 0.00 0.00 +0.143 C BRANCH 22 27 ATOM 23 C LIG 1 5.263 -1.721 0.305 0.00 0.00 +0.124 A ATOM 24 C LIG 1 4.426 -2.749 0.741 0.00 0.00 +0.091 A ATOM 25 C LIG 1 3.174 -2.949 0.149 0.00 0.00 +0.124 A ATOM 26 C LIG 1 2.769 -2.120 -0.896 0.00 0.00 +0.051 A ATOM 27 C LIG 1 3.594 -1.075 -1.343 0.00 0.00 -0.023 A ATOM 28 C LIG 1 4.841 -0.887 -0.733 0.00 0.00 +0.051 A BRANCH 23 30 ATOM 29 C LIG 1 6.992 -2.267 1.842 0.00 0.00 +0.277 C ATOM 30 O LIG 1 6.502 -1.424 0.807 0.00 0.00 -0.495 OA ENDBRANCH 23 30 BRANCH 25 31 ATOM 31 O LIG 1 2.448 -3.983 0.676 0.00 0.00 -0.495 OA ATOM 32 C LIG 1 1.104 -4.115 0.218 0.00 0.00 +0.277 C ENDBRANCH 25 31 ENDBRANCH 22 27 ENDBRANCH 1 22 BRANCH 6 33 ATOM 33 C LIG 1 -3.825 -1.122 -1.012 0.00 0.00 +0.159 C BRANCH 33 34 ATOM 34 N LIG 1 -3.667 -1.848 0.231 0.00 0.00 -0.313 N ATOM 35 C LIG 1 -2.869 -2.985 0.419 0.00 0.00 +0.204 A ATOM 36 N LIG 1 -2.193 -3.672 -0.431 0.00 0.00 -0.268 NA ATOM 37 H LIG 1 -2.316 -3.281 -1.364 0.00 0.00 +0.190 HD ATOM 38 N LIG 1 -2.953 -3.238 1.792 0.00 0.00 -0.320 N ATOM 39 C LIG 1 -2.177 -4.253 2.460 0.00 0.00 +0.152 C ATOM 40 C LIG 1 -3.724 -2.267 2.408 0.00 0.00 +0.106 A ATOM 41 C LIG 1 -4.165 -1.427 1.462 0.00 0.00 +0.107 A ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 7