REMARK Name = BDB056440 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.910 0.352 -0.970 0.00 0.00 +0.237 C ATOM 2 N LIG 1 0.186 0.356 -1.818 0.00 0.00 -0.286 N ATOM 3 C LIG 1 1.153 -0.768 -1.979 0.00 0.00 +0.176 C ATOM 4 C LIG 1 1.979 -0.657 -3.289 0.00 0.00 +0.116 C ATOM 5 N LIG 1 1.158 -0.308 -4.461 0.00 0.00 -0.296 NA ATOM 6 C LIG 1 0.273 0.860 -4.223 0.00 0.00 +0.074 C ATOM 7 C LIG 1 0.622 1.876 -5.304 0.00 0.00 +0.022 C ATOM 8 C LIG 1 1.178 1.009 -6.418 0.00 0.00 +0.017 C ATOM 9 C LIG 1 1.973 -0.033 -5.652 0.00 0.00 +0.085 C ATOM 10 C LIG 1 0.325 1.440 -2.797 0.00 0.00 +0.127 C ATOM 11 O LIG 1 -1.650 1.339 -0.872 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 12 ATOM 12 C LIG 1 2.167 -0.824 -0.819 0.00 0.00 +0.235 C ATOM 13 N LIG 1 2.281 0.339 -0.089 0.00 0.00 -0.307 N ATOM 14 H LIG 1 1.563 1.044 -0.219 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 2.880 -1.805 -0.625 0.00 0.00 -0.274 OA BRANCH 13 16 ATOM 16 C LIG 1 3.078 0.409 1.126 0.00 0.00 +0.110 C ATOM 17 C LIG 1 3.424 1.839 1.470 0.00 0.00 +0.014 A ATOM 18 C LIG 1 3.336 2.291 2.793 0.00 0.00 +0.125 A ATOM 19 C LIG 1 3.631 3.618 3.111 0.00 0.00 +0.046 A ATOM 20 C LIG 1 4.058 4.498 2.119 0.00 0.00 +0.004 A ATOM 21 C LIG 1 4.191 4.052 0.806 0.00 0.00 +0.001 A ATOM 22 O LIG 1 2.941 1.502 3.841 0.00 0.00 -0.492 OA ATOM 23 C LIG 1 3.018 0.098 3.580 0.00 0.00 +0.231 C ATOM 24 C LIG 1 3.881 2.730 0.484 0.00 0.00 +0.009 A ATOM 25 C LIG 1 2.326 -0.254 2.279 0.00 0.00 +0.068 C ENDBRANCH 13 16 ENDBRANCH 3 12 BRANCH 1 26 ATOM 26 C LIG 1 -1.222 -0.917 -0.138 0.00 0.00 +0.162 C BRANCH 26 27 ATOM 27 C LIG 1 -2.070 -1.923 -0.952 0.00 0.00 +0.018 C ATOM 28 C LIG 1 -2.116 -3.296 -0.258 0.00 0.00 +0.006 C ATOM 29 C LIG 1 -2.912 -4.315 -1.071 0.00 0.00 +0.000 C ATOM 30 C LIG 1 -4.320 -3.814 -1.375 0.00 0.00 +0.000 C ATOM 31 C LIG 1 -4.294 -2.450 -2.057 0.00 0.00 +0.000 C ATOM 32 C LIG 1 -3.500 -1.428 -1.245 0.00 0.00 +0.006 C ENDBRANCH 26 27 BRANCH 26 34 ATOM 33 C LIG 1 -1.558 -0.886 2.334 0.00 0.00 +0.231 C ATOM 34 N LIG 1 -1.901 -0.457 1.073 0.00 0.00 -0.302 N ATOM 35 H LIG 1 -2.509 0.349 0.957 0.00 0.00 +0.150 HD ATOM 36 O LIG 1 -0.751 -1.796 2.514 0.00 0.00 -0.274 OA BRANCH 33 37 ATOM 37 C LIG 1 -2.314 -0.167 3.487 0.00 0.00 +0.140 C BRANCH 37 38 ATOM 38 N LIG 1 -2.115 -0.880 4.773 0.00 0.00 -0.309 NA ATOM 39 H LIG 1 -2.179 -1.882 4.571 0.00 0.00 +0.122 HD ATOM 40 C LIG 1 -0.818 -0.644 5.399 0.00 0.00 +0.101 C ENDBRANCH 37 38 BRANCH 37 42 ATOM 41 C LIG 1 -2.867 2.107 4.513 0.00 0.00 +0.006 C ATOM 42 C LIG 1 -2.004 1.342 3.518 0.00 0.00 +0.025 C ENDBRANCH 37 42 ENDBRANCH 33 37 ENDBRANCH 26 34 ENDBRANCH 1 26 TORSDOF 8