REMARK Name = BDB054297 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.418 1.517 -1.916 0.00 0.00 +0.035 A ATOM 2 C LIG 1 1.267 0.466 -2.282 0.00 0.00 +0.023 A ATOM 3 C LIG 1 2.457 0.717 -2.970 0.00 0.00 +0.005 A ATOM 4 C LIG 1 2.821 2.026 -3.306 0.00 0.00 -0.046 A ATOM 5 C LIG 1 1.961 3.073 -2.959 0.00 0.00 +0.005 A ATOM 6 C LIG 1 0.769 2.820 -2.271 0.00 0.00 +0.023 A ENDROOT BRANCH 1 10 ATOM 7 N LIG 1 -2.764 1.344 -0.160 0.00 0.00 -0.269 N ATOM 8 H LIG 1 -2.912 0.483 -0.656 0.00 0.00 +0.156 HD ATOM 9 C LIG 1 -1.647 2.050 -0.594 0.00 0.00 +0.308 C ATOM 10 N LIG 1 -0.765 1.181 -1.225 0.00 0.00 -0.269 N ATOM 11 H LIG 1 -0.883 0.205 -1.003 0.00 0.00 +0.156 HD ATOM 12 O LIG 1 -1.466 3.250 -0.449 0.00 0.00 -0.252 OA BRANCH 7 14 ATOM 13 C LIG 1 -5.006 1.046 0.803 0.00 0.00 -0.012 A ATOM 14 C LIG 1 -3.823 1.811 0.659 0.00 0.00 +0.039 A ATOM 15 C LIG 1 -3.712 3.020 1.363 0.00 0.00 +0.023 A ATOM 16 C LIG 1 -4.754 3.499 2.160 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -5.932 2.776 2.270 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -6.056 1.565 1.594 0.00 0.00 +0.007 A BRANCH 13 19 ATOM 19 C LIG 1 -5.255 -0.276 0.086 0.00 0.00 +0.121 C BRANCH 19 20 ATOM 20 N LIG 1 -5.979 -1.282 0.901 0.00 0.00 -0.299 NA BRANCH 20 22 ATOM 21 C LIG 1 -7.752 -1.919 -0.732 0.00 0.00 +0.020 C ATOM 22 C LIG 1 -6.519 -2.360 0.052 0.00 0.00 +0.081 C ENDBRANCH 20 22 BRANCH 20 23 ATOM 23 C LIG 1 -5.092 -1.824 1.950 0.00 0.00 +0.081 C ATOM 24 C LIG 1 -5.877 -2.454 3.097 0.00 0.00 +0.020 C ENDBRANCH 20 23 ENDBRANCH 19 20 ENDBRANCH 13 19 ENDBRANCH 7 14 ENDBRANCH 1 10 BRANCH 4 25 ATOM 25 C LIG 1 4.134 2.300 -4.004 0.00 0.00 +0.054 C BRANCH 25 26 ATOM 26 C LIG 1 5.170 3.007 -3.113 0.00 0.00 +0.107 C BRANCH 26 27 ATOM 27 N LIG 1 5.414 2.306 -1.854 0.00 0.00 -0.328 N ATOM 28 H LIG 1 4.600 2.281 -1.243 0.00 0.00 +0.147 HD BRANCH 27 29 ATOM 29 C LIG 1 6.067 1.079 -1.923 0.00 0.00 +0.134 A ATOM 30 C LIG 1 5.841 0.055 -0.991 0.00 0.00 +0.098 A ATOM 31 C LIG 1 6.558 -1.116 -1.171 0.00 0.00 +0.234 A ATOM 32 O LIG 1 6.227 -2.021 -0.213 0.00 0.00 -0.435 OA ATOM 33 C LIG 1 5.293 -1.444 0.604 0.00 0.00 +0.157 A ATOM 34 N LIG 1 7.448 -1.383 -2.134 0.00 0.00 -0.200 NA ATOM 35 C LIG 1 7.594 -0.344 -2.961 0.00 0.00 +0.227 A ATOM 36 C LIG 1 5.022 -0.165 0.150 0.00 0.00 +0.099 A ATOM 37 CL LIG 1 3.895 0.955 0.765 0.00 0.00 -0.079 Cl ATOM 38 N LIG 1 6.959 0.842 -2.915 0.00 0.00 -0.220 NA BRANCH 33 39 ATOM 39 C LIG 1 4.826 -2.289 1.701 0.00 0.00 +0.019 A ATOM 40 C LIG 1 4.811 -3.687 1.565 0.00 0.00 +0.011 A ATOM 41 C LIG 1 4.362 -4.507 2.604 0.00 0.00 +0.001 A ATOM 42 C LIG 1 3.922 -3.940 3.797 0.00 0.00 +0.000 A ATOM 43 C LIG 1 3.937 -2.557 3.953 0.00 0.00 +0.001 A ATOM 44 C LIG 1 4.387 -1.737 2.912 0.00 0.00 +0.011 A ENDBRANCH 33 39 ENDBRANCH 27 29 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 4 25 TORSDOF 11