REMARK Name = BDB056442 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.377 -0.519 -1.018 0.00 0.00 +0.237 C ATOM 2 N LIG 1 0.258 0.633 -0.560 0.00 0.00 -0.285 N ATOM 3 C LIG 1 1.722 0.527 -0.348 0.00 0.00 +0.179 C ATOM 4 C LIG 1 2.429 1.886 -0.139 0.00 0.00 +0.137 C ATOM 5 N LIG 1 2.012 2.876 -1.157 0.00 0.00 -0.323 N ATOM 6 C LIG 1 0.562 2.886 -1.533 0.00 0.00 +0.095 C ATOM 7 C LIG 1 0.067 4.346 -1.581 0.00 0.00 +0.061 C ATOM 8 C LIG 1 1.244 5.088 -1.052 0.00 0.00 -0.025 A ATOM 9 C LIG 1 1.345 6.448 -0.799 0.00 0.00 +0.005 A ATOM 10 C LIG 1 2.551 6.939 -0.298 0.00 0.00 +0.000 A ATOM 11 C LIG 1 3.627 6.071 -0.066 0.00 0.00 +0.002 A ATOM 12 C LIG 1 3.507 4.704 -0.331 0.00 0.00 +0.023 A ATOM 13 C LIG 1 2.306 4.214 -0.822 0.00 0.00 +0.033 A ATOM 14 C LIG 1 -0.265 2.011 -0.564 0.00 0.00 +0.131 C ATOM 15 O LIG 1 0.289 -1.516 -1.320 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 16 ATOM 16 C LIG 1 1.957 -0.299 0.927 0.00 0.00 +0.236 C ATOM 17 N LIG 1 2.926 -1.269 0.811 0.00 0.00 -0.307 N ATOM 18 H LIG 1 3.299 -1.492 -0.104 0.00 0.00 +0.149 HD ATOM 19 O LIG 1 1.340 -0.089 1.972 0.00 0.00 -0.274 OA BRANCH 17 20 ATOM 20 C LIG 1 3.228 -2.184 1.903 0.00 0.00 +0.110 C ATOM 21 C LIG 1 3.751 -3.505 1.389 0.00 0.00 +0.014 A ATOM 22 C LIG 1 4.869 -4.107 1.981 0.00 0.00 +0.125 A ATOM 23 C LIG 1 5.370 -5.314 1.489 0.00 0.00 +0.046 A ATOM 24 C LIG 1 4.732 -5.957 0.430 0.00 0.00 +0.004 A ATOM 25 C LIG 1 3.590 -5.396 -0.137 0.00 0.00 +0.001 A ATOM 26 O LIG 1 5.548 -3.565 3.040 0.00 0.00 -0.492 OA ATOM 27 C LIG 1 4.799 -2.592 3.774 0.00 0.00 +0.231 C ATOM 28 C LIG 1 3.098 -4.180 0.342 0.00 0.00 +0.009 A ATOM 29 C LIG 1 4.233 -1.531 2.853 0.00 0.00 +0.068 C ENDBRANCH 17 20 ENDBRANCH 3 16 BRANCH 1 30 ATOM 30 C LIG 1 -1.919 -0.553 -1.179 0.00 0.00 +0.162 C BRANCH 30 31 ATOM 31 C LIG 1 -2.391 0.137 -2.489 0.00 0.00 +0.018 C ATOM 32 C LIG 1 -1.757 -0.573 -3.713 0.00 0.00 +0.006 C ATOM 33 C LIG 1 -2.599 -0.421 -4.973 0.00 0.00 +0.000 C ATOM 34 C LIG 1 -3.979 -1.056 -4.800 0.00 0.00 +0.000 C ATOM 35 C LIG 1 -4.514 -0.961 -3.370 0.00 0.00 +0.000 C ATOM 36 C LIG 1 -3.926 0.235 -2.631 0.00 0.00 +0.006 C ENDBRANCH 30 31 BRANCH 30 38 ATOM 37 C LIG 1 -3.532 -0.686 0.697 0.00 0.00 +0.231 C ATOM 38 N LIG 1 -2.504 -0.018 0.058 0.00 0.00 -0.302 N ATOM 39 H LIG 1 -1.855 0.459 0.671 0.00 0.00 +0.150 HD ATOM 40 O LIG 1 -4.175 -1.584 0.151 0.00 0.00 -0.274 OA BRANCH 37 41 ATOM 41 C LIG 1 -3.906 -0.151 2.111 0.00 0.00 +0.140 C BRANCH 41 42 ATOM 42 N LIG 1 -4.885 -1.082 2.720 0.00 0.00 -0.309 NA ATOM 43 H LIG 1 -5.334 -1.599 1.954 0.00 0.00 +0.122 HD ATOM 44 C LIG 1 -5.904 -0.381 3.485 0.00 0.00 +0.101 C ENDBRANCH 41 42 BRANCH 41 46 ATOM 45 C LIG 1 -1.882 -1.228 3.285 0.00 0.00 +0.006 C ATOM 46 C LIG 1 -2.703 0.035 3.052 0.00 0.00 +0.025 C ENDBRANCH 41 46 ENDBRANCH 37 41 ENDBRANCH 30 38 ENDBRANCH 1 30 TORSDOF 8