REMARK Name = BDB010460 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.571 3.360 0.387 0.00 0.00 +0.221 A ATOM 2 N LIG 1 -0.254 3.395 0.646 0.00 0.00 -0.202 NA ATOM 3 C LIG 1 0.356 2.250 0.304 0.00 0.00 +0.184 A ATOM 4 N LIG 1 1.690 2.037 0.453 0.00 0.00 -0.206 NA ATOM 5 C LIG 1 1.923 0.812 0.006 0.00 0.00 +0.162 A ATOM 6 N LIG 1 0.744 0.257 -0.481 0.00 0.00 -0.314 N ATOM 7 C LIG 1 -0.281 1.153 -0.242 0.00 0.00 +0.129 A ATOM 8 C LIG 1 -1.658 1.184 -0.452 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -2.279 2.338 -0.136 0.00 0.00 -0.206 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 3.250 0.176 0.033 0.00 0.00 +0.107 A ATOM 11 N LIG 1 3.279 -1.174 -0.048 0.00 0.00 -0.252 NA ATOM 12 C LIG 1 4.490 -1.767 0.012 0.00 0.00 +0.112 A ATOM 13 C LIG 1 5.685 -1.079 0.150 0.00 0.00 +0.023 A ATOM 14 C LIG 1 5.652 0.315 0.239 0.00 0.00 -0.041 A ATOM 15 C LIG 1 4.402 0.945 0.183 0.00 0.00 +0.035 A BRANCH 14 16 ATOM 16 C LIG 1 6.912 1.143 0.400 0.00 0.00 +0.013 C ATOM 17 C LIG 1 7.635 0.818 1.709 0.00 0.00 +0.012 C ATOM 18 C LIG 1 7.851 0.976 -0.797 0.00 0.00 +0.012 C ENDBRANCH 14 16 ENDBRANCH 5 10 BRANCH 1 21 ATOM 19 N LIG 1 -1.549 5.587 1.336 0.00 0.00 -0.188 N ATOM 20 H LIG 1 -0.541 5.506 1.215 0.00 0.00 +0.183 HD ATOM 21 C LIG 1 -2.333 4.616 0.729 0.00 0.00 +0.304 C ATOM 22 O LIG 1 -3.527 4.748 0.475 0.00 0.00 -0.265 OA BRANCH 19 24 ATOM 23 C LIG 1 -2.630 7.233 2.527 0.00 0.00 +0.226 C ATOM 24 O LIG 1 -2.071 6.901 1.260 0.00 0.00 -0.283 OA ENDBRANCH 19 24 ENDBRANCH 1 21 BRANCH 8 25 ATOM 25 N LIG 1 -2.381 0.111 -0.962 0.00 0.00 -0.324 N ATOM 26 H LIG 1 -2.028 -0.780 -0.632 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.849 0.192 -0.907 0.00 0.00 +0.072 C ATOM 28 C LIG 1 -4.333 -0.178 0.496 0.00 0.00 +0.028 C BRANCH 27 29 ATOM 29 C LIG 1 -4.422 -0.730 -1.995 0.00 0.00 +0.009 C ATOM 30 C LIG 1 -5.962 -0.909 -2.126 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -5.676 -2.331 -2.653 0.00 0.00 +0.001 C ATOM 32 C LIG 1 -4.344 -2.279 -1.875 0.00 0.00 +0.005 C ENDBRANCH 27 29 ENDBRANCH 25 27 ENDBRANCH 8 25 BRANCH 6 33 ATOM 33 C LIG 1 0.623 -0.967 -1.268 0.00 0.00 +0.159 C BRANCH 33 34 ATOM 34 C LIG 1 0.069 -2.151 -0.503 0.00 0.00 -0.028 A ATOM 35 C LIG 1 -0.650 -3.128 -1.209 0.00 0.00 +0.006 A ATOM 36 C LIG 1 -1.180 -4.244 -0.555 0.00 0.00 +0.013 A ATOM 37 C LIG 1 -0.984 -4.422 0.820 0.00 0.00 +0.055 A ATOM 38 C LIG 1 -0.253 -3.458 1.525 0.00 0.00 +0.013 A ATOM 39 C LIG 1 0.277 -2.342 0.870 0.00 0.00 +0.006 A BRANCH 37 40 ATOM 40 C LIG 1 -1.574 -5.614 1.533 0.00 0.00 +0.417 C ATOM 41 F LIG 1 -2.830 -5.366 1.997 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -0.845 -6.007 2.615 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -1.680 -6.715 0.737 0.00 0.00 -0.166 F ENDBRANCH 37 40 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 10