REMARK Name = BDB061732 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.924 0.913 -0.889 0.00 0.00 -0.046 A ATOM 2 C LIG 1 1.698 2.006 -1.292 0.00 0.00 +0.005 A ATOM 3 C LIG 1 3.093 1.952 -1.212 0.00 0.00 +0.023 A ATOM 4 C LIG 1 3.739 0.811 -0.720 0.00 0.00 +0.035 A ATOM 5 C LIG 1 2.966 -0.280 -0.322 0.00 0.00 +0.023 A ATOM 6 C LIG 1 1.570 -0.229 -0.403 0.00 0.00 +0.005 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 5.149 0.833 -0.683 0.00 0.00 -0.269 N ATOM 8 H LIG 1 5.583 1.691 -0.984 0.00 0.00 +0.156 HD ATOM 9 C LIG 1 5.991 -0.093 -0.084 0.00 0.00 +0.308 C ATOM 10 N LIG 1 7.314 0.204 -0.385 0.00 0.00 -0.269 N ATOM 11 H LIG 1 7.453 0.820 -1.172 0.00 0.00 +0.156 HD ATOM 12 O LIG 1 5.627 -1.034 0.609 0.00 0.00 -0.252 OA BRANCH 10 13 ATOM 13 C LIG 1 8.471 -0.423 0.124 0.00 0.00 +0.036 A ATOM 14 C LIG 1 8.465 -1.324 1.191 0.00 0.00 +0.043 A ATOM 15 C LIG 1 9.663 -1.887 1.637 0.00 0.00 +0.043 A ATOM 16 CL LIG 1 9.649 -2.997 2.954 0.00 0.00 -0.083 Cl ATOM 17 C LIG 1 10.874 -1.558 1.032 0.00 0.00 +0.020 A ATOM 18 C LIG 1 10.890 -0.654 -0.026 0.00 0.00 +0.003 A ATOM 19 C LIG 1 9.694 -0.088 -0.475 0.00 0.00 +0.023 A ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 20 ATOM 20 C LIG 1 -0.583 0.967 -0.951 0.00 0.00 +0.054 C BRANCH 20 21 ATOM 21 C LIG 1 -1.196 1.307 0.413 0.00 0.00 +0.107 C BRANCH 21 22 ATOM 22 N LIG 1 -2.654 1.445 0.332 0.00 0.00 -0.328 N ATOM 23 H LIG 1 -3.004 2.021 1.094 0.00 0.00 +0.147 HD BRANCH 22 33 ATOM 24 C LIG 1 -7.608 0.215 0.054 0.00 0.00 +0.158 A ATOM 25 C LIG 1 -6.936 1.435 0.030 0.00 0.00 +0.166 A ATOM 26 F LIG 1 -7.619 2.584 -0.075 0.00 0.00 -0.202 F ATOM 27 C LIG 1 -5.551 1.490 0.113 0.00 0.00 +0.055 A ATOM 28 C LIG 1 -4.799 0.299 0.229 0.00 0.00 +0.043 A ATOM 29 C LIG 1 -5.465 -0.935 0.242 0.00 0.00 +0.080 A ATOM 30 N LIG 1 -4.818 -2.099 0.328 0.00 0.00 -0.235 NA ATOM 31 C LIG 1 -3.483 -2.039 0.393 0.00 0.00 +0.223 A ATOM 32 N LIG 1 -2.740 -0.929 0.394 0.00 0.00 -0.220 NA ATOM 33 C LIG 1 -3.395 0.241 0.325 0.00 0.00 +0.130 A ATOM 34 C LIG 1 -6.856 -0.957 0.158 0.00 0.00 +0.077 A BRANCH 24 35 ATOM 35 O LIG 1 -8.972 0.285 -0.031 0.00 0.00 -0.489 OA BRANCH 35 37 ATOM 36 C LIG 1 -11.174 -0.617 -0.129 0.00 0.00 +0.048 C ATOM 37 C LIG 1 -9.696 -0.944 -0.021 0.00 0.00 +0.226 C ENDBRANCH 35 37 ENDBRANCH 24 35 ENDBRANCH 22 33 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 8