REMARK Name = BDB046150 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.619 -1.306 -0.942 0.00 0.00 -0.008 A ATOM 2 C LIG 1 -1.347 -0.731 -1.215 0.00 0.00 +0.016 A ATOM 3 C LIG 1 -0.884 -0.759 -2.533 0.00 0.00 +0.060 A ATOM 4 N LIG 1 0.344 -0.133 -2.547 0.00 0.00 -0.354 N ATOM 5 H LIG 1 0.882 0.002 -3.396 0.00 0.00 +0.166 HD ATOM 6 C LIG 1 0.704 0.285 -1.293 0.00 0.00 +0.048 A ATOM 7 C LIG 1 1.860 0.954 -0.869 0.00 0.00 +0.039 A ATOM 8 C LIG 1 1.964 1.263 0.494 0.00 0.00 +0.039 A ATOM 9 C LIG 1 0.933 0.957 1.381 0.00 0.00 +0.014 A ATOM 10 C LIG 1 -0.214 0.290 0.932 0.00 0.00 +0.011 A ATOM 11 C LIG 1 -1.600 -1.333 -3.600 0.00 0.00 +0.060 A ATOM 12 C LIG 1 -2.858 -1.875 -3.309 0.00 0.00 +0.016 A ATOM 13 C LIG 1 -0.336 -0.065 -0.431 0.00 0.00 +0.008 A ATOM 14 C LIG 1 -3.354 -1.866 -2.006 0.00 0.00 +0.010 A ENDROOT BRANCH 8 15 ATOM 15 C LIG 1 3.153 1.981 1.011 0.00 0.00 +0.247 C ATOM 16 N LIG 1 4.417 1.466 0.746 0.00 0.00 -0.295 N ATOM 17 C LIG 1 5.582 2.236 1.179 0.00 0.00 +0.123 C ATOM 18 C LIG 1 6.864 1.819 0.438 0.00 0.00 +0.103 C ATOM 19 N LIG 1 7.183 0.376 0.489 0.00 0.00 -0.302 NA ATOM 20 C LIG 1 8.308 0.099 1.378 0.00 0.00 +0.105 C ATOM 21 C LIG 1 6.013 -0.445 0.857 0.00 0.00 +0.103 C ATOM 22 C LIG 1 4.686 0.096 0.289 0.00 0.00 +0.123 C ATOM 23 O LIG 1 2.969 3.008 1.660 0.00 0.00 -0.270 OA ENDBRANCH 8 15 BRANCH 1 27 ATOM 24 C LIG 1 -4.589 -0.465 2.202 0.00 0.00 +0.037 A ATOM 25 C LIG 1 -4.057 -0.334 0.901 0.00 0.00 -0.022 A ATOM 26 C LIG 1 -4.331 0.875 0.039 0.00 0.00 +0.046 C ATOM 27 C LIG 1 -3.158 -1.326 0.423 0.00 0.00 -0.013 A ATOM 28 C LIG 1 -2.762 -2.370 1.279 0.00 0.00 +0.009 A ATOM 29 C LIG 1 -3.219 -2.432 2.591 0.00 0.00 +0.002 A ATOM 30 C LIG 1 -4.119 -1.477 3.051 0.00 0.00 +0.023 A BRANCH 24 33 ATOM 31 C LIG 1 -7.273 0.282 0.964 0.00 0.00 +0.109 C ATOM 32 C LIG 1 -6.753 0.804 2.276 0.00 0.00 +0.214 C ATOM 33 N LIG 1 -5.542 0.402 2.765 0.00 0.00 -0.285 N ATOM 34 H LIG 1 -5.490 0.561 3.766 0.00 0.00 +0.155 HD ATOM 35 O LIG 1 -7.444 1.564 2.961 0.00 0.00 -0.276 OA ENDBRANCH 24 33 ENDBRANCH 1 27 BRANCH 11 36 ATOM 36 C LIG 1 -1.007 -1.322 -4.966 0.00 0.00 +0.244 C ATOM 37 O LIG 1 -0.009 -0.656 -5.221 0.00 0.00 -0.270 OA ATOM 38 N LIG 1 -1.579 -2.109 -5.925 0.00 0.00 -0.325 N ATOM 39 H LIG 1 -2.227 -2.852 -5.715 0.00 0.00 +0.145 HD ATOM 40 H LIG 1 -1.087 -2.160 -6.809 0.00 0.00 +0.145 HD ENDBRANCH 11 36 TORSDOF 4