REMARK Name = BDB019225 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.502 -0.301 -0.801 0.00 0.00 +0.036 A ATOM 2 C LIG 1 4.334 -0.427 -1.570 0.00 0.00 +0.053 A ATOM 3 C LIG 1 3.128 0.102 -1.085 0.00 0.00 +0.091 A ATOM 4 N LIG 1 1.879 0.097 -1.660 0.00 0.00 -0.232 NA ATOM 5 C LIG 1 1.094 0.707 -0.798 0.00 0.00 +0.116 A ATOM 6 C LIG 1 -0.387 0.917 -0.919 0.00 0.00 +0.082 C ATOM 7 C LIG 1 -1.125 -0.409 -0.625 0.00 0.00 +0.068 C ATOM 8 C LIG 1 -2.373 0.039 0.155 0.00 0.00 +0.134 C ATOM 9 C LIG 1 -3.021 -1.073 0.952 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -4.328 -1.270 0.496 0.00 0.00 +0.040 A ATOM 11 C LIG 1 -5.163 -2.229 1.028 0.00 0.00 +0.043 A ATOM 12 C LIG 1 -4.650 -3.014 2.061 0.00 0.00 +0.043 A ATOM 13 C LIG 1 -3.341 -2.828 2.539 0.00 0.00 +0.020 A ATOM 14 CL LIG 1 -5.642 -4.230 2.771 0.00 0.00 -0.083 Cl ATOM 15 N LIG 1 -4.629 -0.370 -0.516 0.00 0.00 -0.283 N ATOM 16 H LIG 1 -5.514 -0.299 -0.996 0.00 0.00 +0.155 HD ATOM 17 C LIG 1 -2.514 -1.846 1.984 0.00 0.00 +0.009 A ATOM 18 N LIG 1 -1.855 1.163 1.001 0.00 0.00 -0.281 NA ATOM 19 C LIG 1 -3.554 0.470 -0.790 0.00 0.00 +0.243 C ATOM 20 O LIG 1 -3.563 1.377 -1.608 0.00 0.00 -0.273 OA ATOM 21 C LIG 1 -0.979 1.948 0.093 0.00 0.00 +0.071 C ATOM 22 C LIG 1 0.107 2.772 0.807 0.00 0.00 +0.041 C ATOM 23 C LIG 1 1.212 1.892 1.372 0.00 0.00 +0.125 C ATOM 24 N LIG 1 1.805 1.123 0.300 0.00 0.00 -0.327 N ATOM 25 C LIG 1 3.109 0.742 0.150 0.00 0.00 +0.069 A ATOM 26 C LIG 1 4.252 0.884 0.940 0.00 0.00 +0.030 A ATOM 27 C LIG 1 5.447 0.348 0.436 0.00 0.00 +0.025 A ENDROOT BRANCH 7 28 ATOM 28 C LIG 1 -1.357 -1.344 -1.803 0.00 0.00 -0.004 A ATOM 29 C LIG 1 -1.221 -2.730 -1.614 0.00 0.00 +0.145 A ATOM 30 F LIG 1 -0.885 -3.195 -0.400 0.00 0.00 -0.204 F ATOM 31 C LIG 1 -1.437 -3.632 -2.656 0.00 0.00 +0.076 A ATOM 32 CL LIG 1 -1.275 -5.327 -2.398 0.00 0.00 -0.081 Cl ATOM 33 C LIG 1 -1.796 -3.165 -3.918 0.00 0.00 +0.023 A ATOM 34 C LIG 1 -1.938 -1.795 -4.128 0.00 0.00 +0.002 A ATOM 35 C LIG 1 -1.722 -0.893 -3.081 0.00 0.00 +0.007 A ENDBRANCH 7 28 BRANCH 1 38 ATOM 36 C LIG 1 8.954 -1.553 -1.678 0.00 0.00 +0.109 C ATOM 37 C LIG 1 7.950 -0.852 -0.796 0.00 0.00 +0.214 C ATOM 38 N LIG 1 6.681 -0.858 -1.344 0.00 0.00 -0.286 N ATOM 39 H LIG 1 6.577 -1.307 -2.246 0.00 0.00 +0.155 HD ATOM 40 O LIG 1 8.298 -0.335 0.260 0.00 0.00 -0.276 OA ENDBRANCH 1 38 BRANCH 18 41 ATOM 41 C LIG 1 -2.932 1.950 1.622 0.00 0.00 +0.089 C BRANCH 41 42 ATOM 42 C LIG 1 -2.457 2.624 2.876 0.00 0.00 +0.003 C ATOM 43 C LIG 1 -2.411 4.130 2.992 0.00 0.00 +0.005 C ATOM 44 C LIG 1 -3.463 3.360 3.731 0.00 0.00 +0.005 C ENDBRANCH 41 42 ENDBRANCH 18 41 TORSDOF 4