REMARK Name = BDB008018 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.768 -0.308 0.221 0.00 0.00 +0.195 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 2.707 -1.846 -0.586 0.00 0.00 +0.131 A ATOM 3 C LIG 1 1.381 -1.398 -0.655 0.00 0.00 +0.021 A ATOM 4 C LIG 1 0.736 -2.178 -1.688 0.00 0.00 +0.006 A ATOM 5 C LIG 1 1.686 -3.057 -2.208 0.00 0.00 +0.049 A ATOM 6 C LIG 1 1.410 -3.973 -3.233 0.00 0.00 +0.046 A ATOM 7 C LIG 1 0.114 -3.993 -3.749 0.00 0.00 +0.043 A ATOM 8 C LIG 1 -0.865 -3.136 -3.264 0.00 0.00 +0.021 A ATOM 9 CL LIG 1 -0.273 -5.099 -5.011 0.00 0.00 -0.083 Cl ATOM 10 C LIG 1 -0.565 -2.229 -2.238 0.00 0.00 +0.012 A ATOM 11 N LIG 1 2.854 -2.831 -1.533 0.00 0.00 -0.349 N ATOM 12 H LIG 1 3.719 -3.330 -1.693 0.00 0.00 +0.166 HD BRANCH 2 13 ATOM 13 C LIG 1 3.789 -1.433 0.281 0.00 0.00 +0.356 C ATOM 14 O LIG 1 3.729 -0.586 1.161 0.00 0.00 -0.243 OA BRANCH 13 15 ATOM 15 O LIG 1 4.912 -2.144 -0.032 0.00 0.00 -0.460 OA BRANCH 15 17 ATOM 16 C LIG 1 7.211 -2.690 0.320 0.00 0.00 +0.048 C ATOM 17 C LIG 1 6.051 -1.826 0.777 0.00 0.00 +0.229 C ENDBRANCH 15 17 ENDBRANCH 13 15 ENDBRANCH 2 13 ENDBRANCH 1 3 BRANCH 1 18 ATOM 18 N LIG 1 1.151 1.036 -0.284 0.00 0.00 -0.282 N ATOM 19 C LIG 1 0.765 1.446 -1.548 0.00 0.00 +0.214 C ATOM 20 O LIG 1 -0.139 0.892 -2.173 0.00 0.00 -0.276 OA ATOM 21 C LIG 1 1.466 2.642 -2.141 0.00 0.00 +0.109 C BRANCH 18 22 ATOM 22 C LIG 1 1.682 1.978 0.705 0.00 0.00 +0.144 C BRANCH 22 23 ATOM 23 C LIG 1 0.625 2.462 1.673 0.00 0.00 -0.030 A ATOM 24 C LIG 1 0.596 1.976 2.990 0.00 0.00 +0.006 A ATOM 25 C LIG 1 -0.391 2.402 3.882 0.00 0.00 +0.020 A ATOM 26 C LIG 1 -1.356 3.315 3.463 0.00 0.00 +0.041 A ATOM 27 CL LIG 1 -2.580 3.829 4.557 0.00 0.00 -0.084 Cl ATOM 28 C LIG 1 -1.341 3.808 2.161 0.00 0.00 +0.020 A ATOM 29 C LIG 1 -0.354 3.382 1.268 0.00 0.00 +0.006 A ENDBRANCH 22 23 ENDBRANCH 18 22 ENDBRANCH 1 18 BRANCH 1 30 ATOM 30 C LIG 1 -0.718 -0.568 0.607 0.00 0.00 +0.238 C ATOM 31 N LIG 1 -1.649 0.304 0.074 0.00 0.00 -0.311 N ATOM 32 H LIG 1 -1.352 0.723 -0.806 0.00 0.00 +0.149 HD ATOM 33 O LIG 1 -1.044 -1.526 1.310 0.00 0.00 -0.273 OA BRANCH 31 34 ATOM 34 C LIG 1 -3.081 0.117 0.260 0.00 0.00 +0.073 C ATOM 35 C LIG 1 -3.855 1.113 -0.609 0.00 0.00 +0.022 C ATOM 36 C LIG 1 -5.367 0.903 -0.521 0.00 0.00 +0.002 C ATOM 37 C LIG 1 -5.838 0.412 0.848 0.00 0.00 +0.000 C ATOM 38 C LIG 1 -4.883 0.829 1.956 0.00 0.00 +0.002 C ATOM 39 C LIG 1 -3.486 0.244 1.742 0.00 0.00 +0.022 C ENDBRANCH 31 34 ENDBRANCH 1 30 TORSDOF 9