REMARK Name = BDB052811 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.666 -0.640 1.248 0.00 0.00 +0.041 A ATOM 2 N LIG 1 0.505 -1.203 0.753 0.00 0.00 -0.312 N ATOM 3 C LIG 1 1.386 -0.184 0.389 0.00 0.00 +0.058 A ATOM 4 C LIG 1 0.810 1.028 0.771 0.00 0.00 +0.013 A ATOM 5 C LIG 1 1.563 2.213 0.615 0.00 0.00 +0.014 A ATOM 6 C LIG 1 2.847 2.170 0.056 0.00 0.00 +0.046 A ATOM 7 C LIG 1 3.407 0.959 -0.328 0.00 0.00 +0.123 A ATOM 8 C LIG 1 2.689 -0.229 -0.153 0.00 0.00 +0.072 A ATOM 9 C LIG 1 -0.490 0.744 1.289 0.00 0.00 +0.066 A ENDROOT BRANCH 9 10 ATOM 10 C LIG 1 -1.470 1.684 1.834 0.00 0.00 +0.249 C ATOM 11 N LIG 1 -1.857 2.768 1.048 0.00 0.00 -0.295 N ATOM 12 C LIG 1 -2.827 3.704 1.619 0.00 0.00 +0.123 C ATOM 13 C LIG 1 -2.945 4.996 0.795 0.00 0.00 +0.100 C ATOM 14 N LIG 1 -3.309 4.780 -0.616 0.00 0.00 -0.313 NA ATOM 15 H LIG 1 -2.936 5.548 -1.174 0.00 0.00 +0.122 HD ATOM 16 C LIG 1 -2.820 3.492 -1.133 0.00 0.00 +0.100 C ATOM 17 C LIG 1 -1.601 2.914 -0.390 0.00 0.00 +0.123 C ATOM 18 O LIG 1 -1.942 1.500 2.955 0.00 0.00 -0.270 OA ENDBRANCH 9 10 BRANCH 2 19 ATOM 19 C LIG 1 0.820 -2.586 0.693 0.00 0.00 +0.047 A ATOM 20 C LIG 1 1.251 -3.151 -0.512 0.00 0.00 +0.026 A ATOM 21 C LIG 1 1.572 -4.508 -0.561 0.00 0.00 +0.002 A ATOM 22 C LIG 1 1.475 -5.293 0.589 0.00 0.00 +0.000 A ATOM 23 C LIG 1 1.057 -4.724 1.793 0.00 0.00 +0.002 A ATOM 24 C LIG 1 0.727 -3.369 1.849 0.00 0.00 +0.026 A ENDBRANCH 2 19 BRANCH 1 25 ATOM 25 C LIG 1 -1.903 -1.421 1.631 0.00 0.00 +0.090 C BRANCH 25 28 ATOM 26 C LIG 1 -2.884 -0.533 -1.131 0.00 0.00 +0.047 C ATOM 27 C LIG 1 -2.893 -1.967 -0.693 0.00 0.00 -0.012 A ATOM 28 C LIG 1 -2.440 -2.381 0.579 0.00 0.00 -0.036 A ATOM 29 C LIG 1 -2.523 -3.750 0.907 0.00 0.00 +0.004 A ATOM 30 C LIG 1 -2.984 -4.696 -0.011 0.00 0.00 +0.003 A ATOM 31 C LIG 1 -3.384 -4.287 -1.275 0.00 0.00 +0.038 A ATOM 32 C LIG 1 -3.336 -2.938 -1.604 0.00 0.00 +0.127 A ATOM 33 F LIG 1 -3.733 -2.569 -2.831 0.00 0.00 -0.205 F ENDBRANCH 25 28 ENDBRANCH 1 25 BRANCH 7 34 ATOM 34 O LIG 1 4.652 0.787 -0.871 0.00 0.00 -0.490 OA BRANCH 34 35 ATOM 35 C LIG 1 5.466 1.948 -1.016 0.00 0.00 +0.256 C BRANCH 35 36 ATOM 36 C LIG 1 6.804 1.531 -1.621 0.00 0.00 +0.196 C BRANCH 36 37 ATOM 37 O LIG 1 7.683 2.644 -1.729 0.00 0.00 -0.392 OA ATOM 38 H LIG 1 7.978 2.870 -0.830 0.00 0.00 +0.210 HD ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 7 34 TORSDOF 8