REMARK Name = BDB056022 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.445 -1.273 1.012 0.00 0.00 +0.121 A ATOM 2 N LIG 1 -1.123 -1.999 1.949 0.00 0.00 -0.263 N ATOM 3 H LIG 1 -0.774 -2.365 2.826 0.00 0.00 +0.190 HD ATOM 4 N LIG 1 -2.405 -2.240 1.639 0.00 0.00 -0.172 NA ATOM 5 C LIG 1 -2.582 -1.642 0.448 0.00 0.00 +0.094 A ATOM 6 C LIG 1 -1.369 -1.029 0.022 0.00 0.00 +0.073 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -3.877 -1.669 -0.243 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -4.117 -0.877 -1.374 0.00 0.00 +0.010 A ATOM 9 C LIG 1 -5.358 -0.908 -2.021 0.00 0.00 +0.006 A ATOM 10 C LIG 1 -6.393 -1.724 -1.547 0.00 0.00 -0.030 A ATOM 11 C LIG 1 -6.152 -2.530 -0.427 0.00 0.00 +0.006 A ATOM 12 C LIG 1 -4.911 -2.497 0.219 0.00 0.00 +0.010 A BRANCH 10 13 ATOM 13 C LIG 1 -7.735 -1.768 -2.233 0.00 0.00 +0.141 C BRANCH 13 14 ATOM 14 N LIG 1 -8.233 -0.462 -2.621 0.00 0.00 -0.295 N ATOM 15 H LIG 1 -8.525 -0.357 -3.584 0.00 0.00 +0.151 HD ATOM 16 C LIG 1 -8.867 0.451 -1.825 0.00 0.00 +0.304 C ATOM 17 N LIG 1 -8.607 0.343 -0.487 0.00 0.00 -0.269 N ATOM 18 H LIG 1 -7.770 -0.167 -0.250 0.00 0.00 +0.156 HD ATOM 19 O LIG 1 -9.596 1.273 -2.370 0.00 0.00 -0.252 OA BRANCH 17 20 ATOM 20 C LIG 1 -9.203 1.062 0.567 0.00 0.00 +0.035 A ATOM 21 C LIG 1 -8.629 0.928 1.838 0.00 0.00 +0.023 A ATOM 22 C LIG 1 -9.170 1.599 2.938 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -10.293 2.406 2.778 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -10.874 2.539 1.518 0.00 0.00 +0.002 A ATOM 25 C LIG 1 -10.333 1.868 0.417 0.00 0.00 +0.023 A ENDBRANCH 17 20 ENDBRANCH 13 14 ENDBRANCH 10 13 ENDBRANCH 5 7 BRANCH 1 27 ATOM 26 C LIG 1 1.567 -0.153 0.246 0.00 0.00 +0.249 C ATOM 27 N LIG 1 0.886 -0.936 1.166 0.00 0.00 -0.267 N ATOM 28 H LIG 1 1.362 -1.214 2.014 0.00 0.00 +0.157 HD ATOM 29 O LIG 1 1.095 0.368 -0.759 0.00 0.00 -0.270 OA BRANCH 26 33 ATOM 30 C LIG 1 5.703 0.635 1.132 0.00 0.00 -0.033 A ATOM 31 C LIG 1 5.139 -0.606 1.467 0.00 0.00 +0.005 A ATOM 32 C LIG 1 3.799 -0.882 1.180 0.00 0.00 +0.013 A ATOM 33 C LIG 1 3.002 0.091 0.568 0.00 0.00 +0.037 A ATOM 34 C LIG 1 3.561 1.326 0.219 0.00 0.00 +0.013 A ATOM 35 C LIG 1 4.901 1.599 0.504 0.00 0.00 +0.005 A BRANCH 30 36 ATOM 36 C LIG 1 7.156 0.929 1.450 0.00 0.00 +0.119 C BRANCH 36 41 ATOM 37 C LIG 1 10.965 1.219 -1.926 0.00 0.00 +0.105 C ATOM 38 N LIG 1 10.565 0.263 -0.898 0.00 0.00 -0.303 NA ATOM 39 C LIG 1 10.390 0.936 0.403 0.00 0.00 +0.099 C ATOM 40 C LIG 1 9.466 0.153 1.361 0.00 0.00 +0.100 C ATOM 41 N LIG 1 8.089 -0.038 0.855 0.00 0.00 -0.296 NA ATOM 42 C LIG 1 8.056 0.015 -0.626 0.00 0.00 +0.100 C ATOM 43 C LIG 1 9.357 -0.495 -1.284 0.00 0.00 +0.099 C ENDBRANCH 36 41 ENDBRANCH 30 36 ENDBRANCH 26 33 ENDBRANCH 1 27 TORSDOF 8