REMARK Name = BDB046246 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.800 -2.092 -0.043 0.00 0.00 +0.013 A ATOM 2 C LIG 1 -0.978 -2.700 -1.037 0.00 0.00 +0.008 A ATOM 3 C LIG 1 0.218 -1.967 -1.093 0.00 0.00 +0.050 A ATOM 4 C LIG 1 1.238 -2.309 -1.999 0.00 0.00 +0.026 A ATOM 5 C LIG 1 1.046 -3.400 -2.850 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -0.129 -4.138 -2.809 0.00 0.00 +0.001 A ATOM 7 N LIG 1 0.127 -0.964 -0.146 0.00 0.00 -0.343 N ATOM 8 C LIG 1 -1.145 -3.796 -1.912 0.00 0.00 +0.010 A ATOM 9 C LIG 1 -1.094 -1.035 0.485 0.00 0.00 +0.095 A ENDROOT BRANCH 1 17 ATOM 10 C LIG 1 -4.207 -1.682 0.509 0.00 0.00 +0.059 C ATOM 11 C LIG 1 -5.302 -2.561 0.984 0.00 0.00 +0.252 C ATOM 12 O LIG 1 -6.450 -2.239 1.233 0.00 0.00 -0.270 OA ATOM 13 N LIG 1 -4.804 -3.808 1.089 0.00 0.00 -0.248 N ATOM 14 H LIG 1 -5.330 -4.610 1.389 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 -3.504 -3.837 0.733 0.00 0.00 +0.252 C ATOM 16 O LIG 1 -2.797 -4.828 0.733 0.00 0.00 -0.270 OA ATOM 17 C LIG 1 -3.116 -2.456 0.358 0.00 0.00 +0.059 C BRANCH 10 25 ATOM 18 C LIG 1 -4.001 2.659 -1.814 0.00 0.00 +0.149 C ATOM 19 N LIG 1 -4.269 1.667 -0.797 0.00 0.00 -0.349 N ATOM 20 C LIG 1 -4.863 1.923 0.421 0.00 0.00 +0.049 A ATOM 21 C LIG 1 -4.949 0.702 1.099 0.00 0.00 +0.008 A ATOM 22 C LIG 1 -5.526 0.691 2.388 0.00 0.00 +0.010 A ATOM 23 C LIG 1 -5.998 1.881 2.952 0.00 0.00 +0.001 A ATOM 24 C LIG 1 -5.901 3.080 2.254 0.00 0.00 +0.002 A ATOM 25 C LIG 1 -4.371 -0.292 0.252 0.00 0.00 +0.013 A ATOM 26 C LIG 1 -5.333 3.124 0.978 0.00 0.00 +0.026 A ATOM 27 C LIG 1 -3.963 0.337 -0.907 0.00 0.00 +0.095 A ENDBRANCH 10 25 ENDBRANCH 1 17 BRANCH 7 28 ATOM 28 C LIG 1 1.125 0.051 0.188 0.00 0.00 +0.090 C ATOM 29 C LIG 1 2.418 -0.514 0.798 0.00 0.00 +0.040 C ATOM 30 C LIG 1 3.665 -0.101 0.018 0.00 0.00 +0.087 C ATOM 31 N LIG 1 3.771 1.336 -0.268 0.00 0.00 -0.297 NA ATOM 32 C LIG 1 2.489 2.004 -0.521 0.00 0.00 +0.087 C ATOM 33 C LIG 1 1.381 1.045 -0.949 0.00 0.00 +0.040 C BRANCH 31 34 ATOM 34 C LIG 1 4.548 2.071 0.753 0.00 0.00 +0.139 C BRANCH 34 35 ATOM 35 C LIG 1 6.019 1.697 0.814 0.00 0.00 +0.055 A ATOM 36 N LIG 1 6.498 1.237 1.999 0.00 0.00 -0.259 NA ATOM 37 C LIG 1 7.807 0.907 2.053 0.00 0.00 +0.111 A ATOM 38 C LIG 1 8.675 1.013 0.979 0.00 0.00 +0.020 A ATOM 39 C LIG 1 8.172 1.487 -0.226 0.00 0.00 +0.003 A ATOM 40 C LIG 1 6.828 1.835 -0.314 0.00 0.00 +0.024 A ENDBRANCH 34 35 ENDBRANCH 31 34 ENDBRANCH 7 28 TORSDOF 5