REMARK Name = BDB062287 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.314 1.338 0.024 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -4.210 0.719 -0.576 0.00 0.00 +0.016 A ATOM 3 C LIG 1 -2.904 1.168 -0.318 0.00 0.00 -0.001 A ATOM 4 C LIG 1 -1.697 0.483 -0.919 0.00 0.00 +0.140 C ATOM 5 N LIG 1 -0.428 1.166 -0.651 0.00 0.00 -0.265 N ATOM 6 C LIG 1 -0.304 2.238 0.195 0.00 0.00 +0.308 C ATOM 7 N LIG 1 -1.439 2.727 0.763 0.00 0.00 -0.269 N ATOM 8 H LIG 1 -1.292 3.523 1.370 0.00 0.00 +0.156 HD ATOM 9 O LIG 1 0.771 2.785 0.439 0.00 0.00 -0.252 OA ATOM 10 C LIG 1 -2.724 2.259 0.523 0.00 0.00 +0.040 A ATOM 11 C LIG 1 -3.814 2.893 1.121 0.00 0.00 +0.024 A ATOM 12 C LIG 1 -5.108 2.431 0.872 0.00 0.00 +0.010 A ENDROOT BRANCH 1 15 ATOM 13 C LIG 1 -7.968 2.920 -1.136 0.00 0.00 +0.070 C ATOM 14 C LIG 1 -7.812 1.508 -0.714 0.00 0.00 +0.088 A ATOM 15 C LIG 1 -6.652 0.850 -0.225 0.00 0.00 +0.047 A ATOM 16 C LIG 1 -7.075 -0.442 0.007 0.00 0.00 +0.142 A ATOM 17 C LIG 1 -6.439 -1.669 0.525 0.00 0.00 +0.090 C ATOM 18 O LIG 1 -8.389 -0.548 -0.329 0.00 0.00 -0.359 OA ATOM 19 N LIG 1 -8.855 0.672 -0.779 0.00 0.00 -0.083 NA ENDBRANCH 1 15 BRANCH 4 20 ATOM 20 C LIG 1 -1.646 -1.000 -0.563 0.00 0.00 -0.022 A ATOM 21 C LIG 1 -1.487 -1.421 0.767 0.00 0.00 +0.006 A ATOM 22 C LIG 1 -1.450 -2.779 1.085 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -1.577 -3.735 0.080 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -1.738 -3.334 -1.245 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -1.772 -1.976 -1.567 0.00 0.00 +0.006 A ENDBRANCH 4 20 BRANCH 5 26 ATOM 26 C LIG 1 0.788 0.654 -1.274 0.00 0.00 +0.206 C BRANCH 26 27 ATOM 27 C LIG 1 1.597 -0.268 -0.349 0.00 0.00 +0.231 C ATOM 28 N LIG 1 2.553 -1.017 -1.015 0.00 0.00 -0.304 N ATOM 29 H LIG 1 2.868 -0.682 -1.917 0.00 0.00 +0.149 HD ATOM 30 O LIG 1 1.470 -0.318 0.873 0.00 0.00 -0.274 OA BRANCH 28 31 ATOM 31 C LIG 1 3.488 -1.845 -0.269 0.00 0.00 +0.136 C ATOM 32 C LIG 1 4.043 -2.950 -1.161 0.00 0.00 +0.036 C BRANCH 31 33 ATOM 33 C LIG 1 4.573 -0.957 0.270 0.00 0.00 +0.128 A ATOM 34 N LIG 1 4.328 -0.091 1.312 0.00 0.00 -0.340 N ATOM 35 H LIG 1 3.422 0.037 1.752 0.00 0.00 +0.167 HD ATOM 36 C LIG 1 5.477 0.604 1.578 0.00 0.00 +0.067 A ATOM 37 C LIG 1 6.405 0.116 0.662 0.00 0.00 +0.101 A ATOM 38 C LIG 1 7.715 0.637 0.675 0.00 0.00 +0.064 A ATOM 39 C LIG 1 8.030 1.636 1.615 0.00 0.00 +0.015 A ATOM 40 C LIG 1 7.071 2.106 2.516 0.00 0.00 +0.003 A ATOM 41 C LIG 1 5.768 1.599 2.515 0.00 0.00 +0.028 A ATOM 42 N LIG 1 5.821 -0.848 -0.145 0.00 0.00 -0.230 NA BRANCH 38 43 ATOM 43 C LIG 1 8.760 0.170 -0.266 0.00 0.00 +0.244 C ATOM 44 O LIG 1 9.893 0.635 -0.252 0.00 0.00 -0.270 OA ATOM 45 N LIG 1 8.414 -0.807 -1.155 0.00 0.00 -0.325 N ATOM 46 H LIG 1 7.476 -1.201 -1.160 0.00 0.00 +0.145 HD ATOM 47 H LIG 1 9.109 -1.153 -1.799 0.00 0.00 +0.145 HD ENDBRANCH 38 43 ENDBRANCH 31 33 ENDBRANCH 28 31 ENDBRANCH 26 27 ENDBRANCH 5 26 TORSDOF 7