REMARK Name = BDB035796 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.748 -0.177 1.817 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.072 0.398 0.841 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.198 0.962 -0.203 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.459 0.230 1.292 0.00 0.00 +0.044 A ATOM 5 C LIG 1 1.447 -0.419 2.518 0.00 0.00 +0.001 A ATOM 6 C LIG 1 2.637 -0.699 3.159 0.00 0.00 +0.047 A ATOM 7 C LIG 1 3.839 -0.314 2.554 0.00 0.00 +0.025 A ATOM 8 C LIG 1 3.846 0.353 1.307 0.00 0.00 -0.031 A ATOM 9 CL LIG 1 2.659 -1.506 4.675 0.00 0.00 -0.083 Cl ATOM 10 C LIG 1 2.628 0.621 0.662 0.00 0.00 +0.018 A ATOM 11 C LIG 1 0.044 -0.707 2.921 0.00 0.00 +0.151 C ENDROOT BRANCH 1 14 ATOM 12 C LIG 1 -4.342 0.179 0.664 0.00 0.00 -0.032 A ATOM 13 C LIG 1 -2.925 0.226 0.715 0.00 0.00 +0.028 A ATOM 14 C LIG 1 -2.168 -0.252 1.797 0.00 0.00 +0.037 A ATOM 15 C LIG 1 -2.865 -0.814 2.873 0.00 0.00 +0.023 A ATOM 16 C LIG 1 -4.258 -0.883 2.867 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -4.980 -0.392 1.780 0.00 0.00 +0.005 A BRANCH 12 18 ATOM 18 C LIG 1 -5.141 0.759 -0.615 0.00 0.00 +0.058 C ATOM 19 C LIG 1 -4.939 2.300 -0.899 0.00 0.00 +0.038 C ATOM 20 C LIG 1 -6.209 2.544 -0.056 0.00 0.00 +0.083 C ATOM 21 CL LIG 1 -7.265 3.928 -0.452 0.00 0.00 -0.122 Cl ATOM 22 C LIG 1 -6.662 1.128 -0.474 0.00 0.00 +0.038 C BRANCH 18 25 ATOM 23 C LIG 1 -5.658 -2.396 -1.067 0.00 0.00 +0.151 C ATOM 24 N LIG 1 -5.122 -1.481 -2.035 0.00 0.00 -0.320 N ATOM 25 C LIG 1 -4.881 -0.141 -1.890 0.00 0.00 +0.144 A ATOM 26 N LIG 1 -4.398 0.324 -3.023 0.00 0.00 -0.134 NA ATOM 27 N LIG 1 -4.318 -0.718 -3.916 0.00 0.00 -0.138 NA ATOM 28 C LIG 1 -4.751 -1.796 -3.305 0.00 0.00 +0.224 A ENDBRANCH 18 25 ENDBRANCH 12 18 ENDBRANCH 1 14 BRANCH 8 29 ATOM 29 C LIG 1 5.151 0.736 0.647 0.00 0.00 +0.117 C BRANCH 29 30 ATOM 30 N LIG 1 5.550 -0.299 -0.303 0.00 0.00 -0.307 NA ATOM 31 H LIG 1 5.702 -1.172 0.201 0.00 0.00 +0.123 HD BRANCH 30 32 ATOM 32 C LIG 1 6.687 0.106 -1.151 0.00 0.00 +0.017 C ATOM 33 C LIG 1 6.190 1.033 -2.296 0.00 0.00 +0.022 C ATOM 34 C LIG 1 5.882 -0.223 -3.136 0.00 0.00 +0.004 C ATOM 35 C LIG 1 6.857 -1.003 -2.232 0.00 0.00 +0.022 C ATOM 36 C LIG 1 7.952 0.469 -0.400 0.00 0.00 +0.027 C ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 8 29 TORSDOF 6