REMARK Name = BDB017463 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.543 -1.110 -2.090 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -2.180 -1.731 -0.880 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -1.184 -1.142 -0.091 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -0.531 0.033 -0.440 0.00 0.00 +0.027 A ATOM 5 C LIG 1 0.378 0.288 0.637 0.00 0.00 +0.100 A ATOM 6 N LIG 1 0.327 -0.698 1.549 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -0.866 0.641 -1.664 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -0.636 -1.516 1.101 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -0.866 -2.334 1.654 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -1.858 0.057 -2.469 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -6.052 0.421 0.560 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -5.326 0.097 -0.596 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -5.624 -1.069 -1.285 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -5.075 -1.702 -2.533 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -3.620 -1.720 -2.957 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -5.920 -2.941 -2.717 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -6.815 -2.982 -1.662 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -7.501 -3.714 -1.560 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -5.811 -3.743 -3.630 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -4.629 -0.868 -3.699 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -6.660 -1.886 -0.812 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -7.396 -1.599 0.318 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -7.080 -0.426 1.010 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -6.312 1.945 2.372 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -5.668 1.595 1.154 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 1.295 1.416 0.808 0.00 0.00 +0.003 A ATOM 27 C LIG 1 2.571 1.207 1.353 0.00 0.00 +0.023 A ATOM 28 C LIG 1 3.459 2.279 1.494 0.00 0.00 +0.038 A ATOM 29 C LIG 1 3.064 3.571 1.138 0.00 0.00 +0.013 A ATOM 30 C LIG 1 1.791 3.790 0.614 0.00 0.00 +0.001 A ATOM 31 C LIG 1 0.912 2.718 0.450 0.00 0.00 +0.010 A BRANCH 28 32 ATOM 32 C LIG 1 4.812 2.091 2.068 0.00 0.00 +0.247 C ATOM 33 N LIG 1 5.630 1.079 1.574 0.00 0.00 -0.295 N ATOM 34 C LIG 1 5.436 0.380 0.298 0.00 0.00 +0.123 C ATOM 35 C LIG 1 6.767 0.174 -0.459 0.00 0.00 +0.103 C ATOM 36 N LIG 1 7.841 -0.483 0.311 0.00 0.00 -0.302 NA ATOM 37 C LIG 1 8.071 -1.858 -0.117 0.00 0.00 +0.105 C ATOM 38 C LIG 1 7.615 -0.415 1.770 0.00 0.00 +0.103 C ATOM 39 C LIG 1 6.935 0.891 2.211 0.00 0.00 +0.123 C ATOM 40 O LIG 1 5.168 2.862 2.955 0.00 0.00 -0.270 OA ENDBRANCH 28 32 ENDBRANCH 5 26 TORSDOF 4