REMARK Name = BDB054286 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.539 2.791 -0.735 0.00 0.00 +0.035 A ATOM 2 C LIG 1 1.336 3.214 0.335 0.00 0.00 +0.023 A ATOM 3 C LIG 1 2.569 3.833 0.108 0.00 0.00 +0.005 A ATOM 4 C LIG 1 3.026 4.044 -1.197 0.00 0.00 -0.046 A ATOM 5 C LIG 1 2.223 3.632 -2.266 0.00 0.00 +0.005 A ATOM 6 C LIG 1 0.989 3.013 -2.036 0.00 0.00 +0.023 A ENDROOT BRANCH 1 10 ATOM 7 N LIG 1 -2.727 1.185 -0.621 0.00 0.00 -0.269 N ATOM 8 H LIG 1 -2.890 1.663 0.251 0.00 0.00 +0.156 HD ATOM 9 C LIG 1 -1.562 1.534 -1.290 0.00 0.00 +0.308 C ATOM 10 N LIG 1 -0.693 2.181 -0.421 0.00 0.00 -0.269 N ATOM 11 H LIG 1 -0.887 2.061 0.561 0.00 0.00 +0.156 HD ATOM 12 O LIG 1 -1.333 1.306 -2.470 0.00 0.00 -0.252 OA BRANCH 7 15 ATOM 13 C LIG 1 -6.073 -0.406 -0.720 0.00 0.00 -0.032 A ATOM 14 C LIG 1 -4.958 0.349 -0.319 0.00 0.00 +0.028 A ATOM 15 C LIG 1 -3.802 0.415 -1.112 0.00 0.00 +0.035 A ATOM 16 C LIG 1 -3.767 -0.294 -2.313 0.00 0.00 +0.023 A ATOM 17 C LIG 1 -4.870 -1.047 -2.724 0.00 0.00 +0.002 A ATOM 18 C LIG 1 -6.017 -1.101 -1.935 0.00 0.00 +0.005 A BRANCH 13 19 ATOM 19 C LIG 1 -7.324 -0.456 0.134 0.00 0.00 +0.119 C BRANCH 19 20 ATOM 20 N LIG 1 -7.693 -1.815 0.565 0.00 0.00 -0.299 NA BRANCH 20 22 ATOM 21 C LIG 1 -10.153 -1.695 0.179 0.00 0.00 +0.020 C ATOM 22 C LIG 1 -9.023 -1.852 1.192 0.00 0.00 +0.081 C ENDBRANCH 20 22 BRANCH 20 23 ATOM 23 C LIG 1 -6.675 -2.455 1.419 0.00 0.00 +0.081 C ATOM 24 C LIG 1 -6.401 -1.792 2.766 0.00 0.00 +0.020 C ENDBRANCH 20 23 ENDBRANCH 19 20 ENDBRANCH 13 19 ENDBRANCH 7 15 ENDBRANCH 1 10 BRANCH 4 25 ATOM 25 C LIG 1 4.375 4.679 -1.446 0.00 0.00 +0.054 C BRANCH 25 26 ATOM 26 C LIG 1 5.449 3.673 -1.887 0.00 0.00 +0.107 C BRANCH 26 27 ATOM 27 N LIG 1 5.719 2.710 -0.822 0.00 0.00 -0.328 N ATOM 28 H LIG 1 4.878 2.292 -0.429 0.00 0.00 +0.147 HD BRANCH 27 29 ATOM 29 C LIG 1 6.674 1.736 -1.121 0.00 0.00 +0.134 A ATOM 30 C LIG 1 6.674 0.474 -0.508 0.00 0.00 +0.098 A ATOM 31 C LIG 1 7.687 -0.395 -0.878 0.00 0.00 +0.234 A ATOM 32 O LIG 1 7.560 -1.575 -0.214 0.00 0.00 -0.435 OA ATOM 33 C LIG 1 6.464 -1.480 0.600 0.00 0.00 +0.157 A ATOM 34 N LIG 1 8.671 -0.168 -1.756 0.00 0.00 -0.200 NA ATOM 35 C LIG 1 8.583 1.060 -2.276 0.00 0.00 +0.227 A ATOM 36 C LIG 1 5.886 -0.233 0.441 0.00 0.00 +0.099 A ATOM 37 CL LIG 1 4.477 0.377 1.180 0.00 0.00 -0.079 Cl ATOM 38 N LIG 1 7.658 2.002 -2.014 0.00 0.00 -0.220 NA BRANCH 33 39 ATOM 39 C LIG 1 6.187 -2.670 1.401 0.00 0.00 +0.019 A ATOM 40 C LIG 1 6.517 -3.945 0.916 0.00 0.00 +0.011 A ATOM 41 C LIG 1 6.254 -5.092 1.671 0.00 0.00 +0.001 A ATOM 42 C LIG 1 5.660 -4.979 2.924 0.00 0.00 +0.000 A ATOM 43 C LIG 1 5.333 -3.721 3.425 0.00 0.00 +0.001 A ATOM 44 C LIG 1 5.596 -2.574 2.669 0.00 0.00 +0.011 A ENDBRANCH 33 39 ENDBRANCH 27 29 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 4 25 TORSDOF 11