REMARK Name = BDB056313 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.641 -0.072 -0.212 0.00 0.00 +0.204 C ATOM 2 C LIG 1 -1.554 -1.620 -0.214 0.00 0.00 +0.141 C ATOM 3 C LIG 1 -2.696 -2.243 0.619 0.00 0.00 +0.078 C ATOM 4 C LIG 1 -2.707 -3.762 0.500 0.00 0.00 +0.164 C ATOM 5 O LIG 1 -2.824 -4.153 -0.867 0.00 0.00 -0.379 OA ATOM 6 C LIG 1 -1.714 -3.710 -1.644 0.00 0.00 +0.164 C ATOM 7 C LIG 1 -1.643 -2.187 -1.653 0.00 0.00 +0.078 C ATOM 8 O LIG 1 -0.295 -2.119 0.300 0.00 0.00 -0.481 OA ATOM 9 C LIG 1 0.256 -1.424 1.341 0.00 0.00 +0.143 A ATOM 10 C LIG 1 0.866 -0.170 1.161 0.00 0.00 +0.079 A ATOM 11 C LIG 1 1.554 0.386 2.247 0.00 0.00 +0.027 A ATOM 12 C LIG 1 1.630 -0.285 3.472 0.00 0.00 +0.002 A ATOM 13 C LIG 1 1.032 -1.532 3.626 0.00 0.00 +0.004 A ATOM 14 N LIG 1 0.799 0.504 -0.099 0.00 0.00 -0.262 N ATOM 15 C LIG 1 0.357 -2.109 2.554 0.00 0.00 +0.047 A ATOM 16 C LIG 1 -0.377 0.538 -0.847 0.00 0.00 +0.244 C ATOM 17 O LIG 1 -0.450 1.071 -1.961 0.00 0.00 -0.273 OA ENDROOT BRANCH 1 19 ATOM 18 C LIG 1 -3.931 0.910 -0.330 0.00 0.00 +0.230 C ATOM 19 N LIG 1 -2.790 0.465 -0.956 0.00 0.00 -0.299 N ATOM 20 H LIG 1 -2.590 0.758 -1.908 0.00 0.00 +0.150 HD ATOM 21 O LIG 1 -4.118 0.733 0.874 0.00 0.00 -0.274 OA BRANCH 18 22 ATOM 22 C LIG 1 -4.992 1.556 -1.263 0.00 0.00 +0.137 C ATOM 23 C LIG 1 -4.413 2.635 -2.177 0.00 0.00 +0.034 C BRANCH 22 25 ATOM 24 C LIG 1 -5.918 3.272 0.254 0.00 0.00 +0.101 C ATOM 25 N LIG 1 -6.157 2.029 -0.473 0.00 0.00 -0.309 NA ATOM 26 H LIG 1 -6.355 1.301 0.221 0.00 0.00 +0.122 HD ENDBRANCH 22 25 ENDBRANCH 18 22 ENDBRANCH 1 19 BRANCH 14 27 ATOM 27 C LIG 1 1.920 1.342 -0.555 0.00 0.00 +0.149 C BRANCH 27 28 ATOM 28 C LIG 1 3.297 0.681 -0.524 0.00 0.00 -0.019 A ATOM 29 C LIG 1 4.387 1.270 0.209 0.00 0.00 -0.013 A ATOM 30 C LIG 1 5.626 0.580 0.261 0.00 0.00 -0.018 A ATOM 31 C LIG 1 6.712 1.101 0.985 0.00 0.00 +0.008 A ATOM 32 C LIG 1 6.613 2.314 1.658 0.00 0.00 +0.001 A ATOM 33 C LIG 1 5.425 3.024 1.609 0.00 0.00 +0.001 A ATOM 34 C LIG 1 5.785 -0.632 -0.415 0.00 0.00 +0.009 A ATOM 35 C LIG 1 4.749 -1.167 -1.171 0.00 0.00 +0.004 A ATOM 36 C LIG 1 4.335 2.513 0.896 0.00 0.00 +0.009 A ATOM 37 C LIG 1 3.514 -0.516 -1.258 0.00 0.00 -0.045 A ATOM 38 C LIG 1 2.456 -1.156 -2.120 0.00 0.00 +0.044 C ENDBRANCH 27 28 ENDBRANCH 14 27 TORSDOF 5