REMARK Name = BDB006152 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.912 0.826 0.897 0.00 0.00 +0.146 C ATOM 2 N LIG 1 -2.043 -0.238 1.924 0.00 0.00 -0.254 N ATOM 3 C LIG 1 -1.093 -1.284 1.745 0.00 0.00 +0.272 C ATOM 4 O LIG 1 -0.937 -2.300 2.404 0.00 0.00 -0.268 OA ATOM 5 C LIG 1 -0.323 -0.877 0.589 0.00 0.00 +0.153 A ATOM 6 N LIG 1 0.661 -1.404 -0.124 0.00 0.00 -0.166 NA ATOM 7 N LIG 1 0.904 -0.450 -1.071 0.00 0.00 -0.266 N ATOM 8 C LIG 1 -0.014 0.600 -1.038 0.00 0.00 +0.048 A ATOM 9 C LIG 1 -0.785 0.324 0.072 0.00 0.00 +0.031 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 -3.493 -1.415 -0.694 0.00 0.00 +0.044 C ATOM 11 C LIG 1 -3.826 0.053 -0.732 0.00 0.00 -0.044 A ATOM 12 C LIG 1 -3.102 1.051 -0.031 0.00 0.00 -0.019 A ATOM 13 C LIG 1 -3.497 2.400 -0.212 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -4.570 2.756 -1.030 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -5.275 1.768 -1.697 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -6.596 2.194 -2.712 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -4.909 0.433 -1.555 0.00 0.00 +0.023 A ENDBRANCH 1 12 BRANCH 2 18 ATOM 18 C LIG 1 -3.083 -0.274 2.901 0.00 0.00 +0.042 A ATOM 19 C LIG 1 -3.582 0.871 3.562 0.00 0.00 -0.029 A ATOM 20 C LIG 1 -2.953 2.235 3.492 0.00 0.00 +0.045 C ATOM 21 C LIG 1 -4.696 0.747 4.421 0.00 0.00 +0.006 A ATOM 22 C LIG 1 -5.279 -0.491 4.675 0.00 0.00 +0.020 A ATOM 23 C LIG 1 -4.748 -1.624 4.079 0.00 0.00 +0.043 A ATOM 24 CL LIG 1 -5.453 -3.162 4.395 0.00 0.00 -0.083 Cl ATOM 25 C LIG 1 -3.662 -1.520 3.210 0.00 0.00 +0.043 A ENDBRANCH 2 18 BRANCH 8 26 ATOM 26 C LIG 1 -0.157 1.739 -2.010 0.00 0.00 +0.032 C ATOM 27 C LIG 1 -0.804 1.288 -3.319 0.00 0.00 +0.014 C ATOM 28 C LIG 1 1.124 2.527 -2.257 0.00 0.00 +0.014 C ENDBRANCH 8 26 BRANCH 7 29 ATOM 29 C LIG 1 1.964 -0.725 -2.023 0.00 0.00 +0.159 C BRANCH 29 30 ATOM 30 C LIG 1 3.355 -0.181 -1.637 0.00 0.00 +0.107 C BRANCH 30 31 ATOM 31 N LIG 1 3.925 -0.600 -0.347 0.00 0.00 -0.298 NA ATOM 32 C LIG 1 5.215 0.070 -0.072 0.00 0.00 +0.100 C ATOM 33 C LIG 1 6.413 -0.468 -0.892 0.00 0.00 +0.099 C ATOM 34 N LIG 1 6.576 -1.925 -0.762 0.00 0.00 -0.303 NA ATOM 35 C LIG 1 7.653 -2.417 -1.614 0.00 0.00 +0.105 C ATOM 36 C LIG 1 5.307 -2.618 -1.054 0.00 0.00 +0.099 C ATOM 37 C LIG 1 4.126 -2.060 -0.225 0.00 0.00 +0.100 C ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 7 29 TORSDOF 6