REMARK Name = BDB017373 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.413 -0.091 -0.205 0.00 0.00 +0.069 A ATOM 2 C LIG 1 1.575 -0.353 0.884 0.00 0.00 +0.146 A ATOM 3 F LIG 1 2.099 -0.410 2.120 0.00 0.00 -0.203 F ATOM 4 C LIG 1 0.205 -0.548 0.727 0.00 0.00 +0.063 A ATOM 5 C LIG 1 -0.367 -0.508 -0.547 0.00 0.00 +0.034 A ATOM 6 C LIG 1 0.463 -0.209 -1.637 0.00 0.00 +0.025 A ATOM 7 C LIG 1 1.842 -0.016 -1.472 0.00 0.00 +0.028 A ENDROOT BRANCH 1 10 ATOM 8 O LIG 1 4.662 0.602 -2.035 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 4.783 0.378 -0.839 0.00 0.00 +0.249 C ATOM 10 N LIG 1 3.789 0.082 0.067 0.00 0.00 -0.279 N ATOM 11 H LIG 1 4.032 -0.014 1.050 0.00 0.00 +0.155 HD BRANCH 9 12 ATOM 12 C LIG 1 6.144 0.483 -0.255 0.00 0.00 +0.049 A ATOM 13 C LIG 1 6.763 -0.579 0.431 0.00 0.00 +0.070 A ATOM 14 C LIG 1 8.054 -0.376 0.952 0.00 0.00 +0.051 A ATOM 15 C LIG 1 8.705 0.841 0.767 0.00 0.00 +0.124 A ATOM 16 F LIG 1 9.935 1.010 1.268 0.00 0.00 -0.205 F ATOM 17 C LIG 1 8.104 1.877 0.066 0.00 0.00 +0.039 A ATOM 18 C LIG 1 6.821 1.698 -0.452 0.00 0.00 +0.016 A BRANCH 13 19 ATOM 19 C LIG 1 6.083 -1.908 0.613 0.00 0.00 +0.418 C ATOM 20 F LIG 1 5.535 -2.399 -0.528 0.00 0.00 -0.166 F ATOM 21 F LIG 1 5.075 -1.834 1.527 0.00 0.00 -0.166 F ATOM 22 F LIG 1 6.919 -2.882 1.070 0.00 0.00 -0.166 F ENDBRANCH 13 19 ENDBRANCH 9 12 ENDBRANCH 1 10 BRANCH 5 23 ATOM 23 N LIG 1 -1.761 -0.638 -0.747 0.00 0.00 -0.314 N ATOM 24 H LIG 1 -1.989 -0.743 -1.735 0.00 0.00 +0.152 HD BRANCH 23 25 ATOM 25 C LIG 1 -2.677 -1.410 0.021 0.00 0.00 +0.044 A ATOM 26 C LIG 1 -4.016 -0.997 0.215 0.00 0.00 +0.042 A ATOM 27 C LIG 1 -4.857 -1.933 0.838 0.00 0.00 +0.143 A ATOM 28 N LIG 1 -6.203 -1.652 1.012 0.00 0.00 -0.307 N ATOM 29 H LIG 1 -6.769 -2.370 1.436 0.00 0.00 +0.170 HD ATOM 30 C LIG 1 -6.811 -0.512 0.599 0.00 0.00 +0.254 A ATOM 31 C LIG 1 -5.933 0.530 -0.008 0.00 0.00 +0.021 A ATOM 32 C LIG 1 -6.643 1.804 -0.393 0.00 0.00 +0.041 C ATOM 33 C LIG 1 -5.790 2.739 -1.246 0.00 0.00 +0.005 C ATOM 34 C LIG 1 -4.380 2.823 -0.687 0.00 0.00 +0.005 C ATOM 35 C LIG 1 -3.717 1.442 -0.667 0.00 0.00 +0.036 C ATOM 36 O LIG 1 -8.018 -0.341 0.738 0.00 0.00 -0.268 OA ATOM 37 N LIG 1 -4.485 -3.155 1.278 0.00 0.00 -0.237 NA ATOM 38 C LIG 1 -3.205 -3.505 1.079 0.00 0.00 +0.115 A ATOM 39 C LIG 1 -4.605 0.325 -0.163 0.00 0.00 -0.027 A ATOM 40 C LIG 1 -2.287 -2.690 0.449 0.00 0.00 +0.043 A ENDBRANCH 23 25 ENDBRANCH 5 23 TORSDOF 5