REMARK Name = BDB006399 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.304 -0.656 -0.946 0.00 0.00 +0.037 A ATOM 2 C LIG 1 1.808 0.511 -1.547 0.00 0.00 +0.023 A ATOM 3 C LIG 1 0.718 1.195 -0.962 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.003 2.378 -1.315 0.00 0.00 -0.022 A ATOM 5 C LIG 1 -0.982 2.568 -0.350 0.00 0.00 +0.020 A ATOM 6 N LIG 1 -0.889 1.529 0.557 0.00 0.00 -0.339 N ATOM 7 C LIG 1 -2.005 3.649 -0.245 0.00 0.00 +0.064 C ATOM 8 C LIG 1 0.246 3.253 -2.494 0.00 0.00 +0.046 C ATOM 9 C LIG 1 0.149 0.682 0.205 0.00 0.00 +0.050 A ATOM 10 C LIG 1 0.624 -0.498 0.805 0.00 0.00 +0.027 A ATOM 11 C LIG 1 1.704 -1.157 0.210 0.00 0.00 +0.015 A ENDROOT BRANCH 1 14 ATOM 12 N LIG 1 4.374 -0.658 -2.230 0.00 0.00 -0.307 N ATOM 13 H LIG 1 4.352 0.348 -2.139 0.00 0.00 +0.149 HD ATOM 14 C LIG 1 3.453 -1.405 -1.526 0.00 0.00 +0.244 C ATOM 15 O LIG 1 3.561 -2.611 -1.337 0.00 0.00 -0.270 OA BRANCH 12 16 ATOM 16 C LIG 1 5.598 -1.244 -2.726 0.00 0.00 +0.140 C BRANCH 16 21 ATOM 17 C LIG 1 8.838 -0.497 0.051 0.00 0.00 +0.155 A ATOM 18 C LIG 1 8.651 0.314 -1.073 0.00 0.00 +0.165 A ATOM 19 F LIG 1 9.475 1.349 -1.302 0.00 0.00 -0.202 F ATOM 20 C LIG 1 7.616 0.081 -1.977 0.00 0.00 +0.047 A ATOM 21 C LIG 1 6.738 -0.989 -1.775 0.00 0.00 -0.027 A ATOM 22 C LIG 1 6.916 -1.801 -0.646 0.00 0.00 +0.009 A ATOM 23 C LIG 1 7.958 -1.560 0.259 0.00 0.00 +0.049 A BRANCH 17 25 ATOM 24 C LIG 1 10.107 -0.970 2.008 0.00 0.00 +0.277 C ATOM 25 O LIG 1 9.889 -0.161 0.860 0.00 0.00 -0.492 OA ENDBRANCH 17 25 ENDBRANCH 16 21 ENDBRANCH 12 16 ENDBRANCH 1 14 BRANCH 6 26 ATOM 26 C LIG 1 -1.726 1.367 1.748 0.00 0.00 +0.157 C BRANCH 26 27 ATOM 27 C LIG 1 -3.112 0.856 1.433 0.00 0.00 -0.028 A ATOM 28 C LIG 1 -4.234 1.515 1.956 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -5.524 1.036 1.705 0.00 0.00 +0.009 A ATOM 30 C LIG 1 -5.724 -0.119 0.939 0.00 0.00 -0.017 A ATOM 31 C LIG 1 -4.601 -0.781 0.423 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -3.311 -0.304 0.672 0.00 0.00 +0.006 A BRANCH 30 33 ATOM 33 C LIG 1 -7.078 -0.615 0.664 0.00 0.00 -0.004 A ATOM 34 C LIG 1 -7.666 -1.695 1.353 0.00 0.00 +0.067 A ATOM 35 C LIG 1 -8.953 -2.142 1.003 0.00 0.00 +0.015 A ATOM 36 C LIG 1 -9.664 -1.523 -0.025 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -9.097 -0.453 -0.709 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -7.819 -0.005 -0.369 0.00 0.00 +0.009 A BRANCH 34 39 ATOM 39 C LIG 1 -6.969 -2.362 2.482 0.00 0.00 +0.337 C ATOM 40 O LIG 1 -6.241 -1.855 3.312 0.00 0.00 -0.245 OA BRANCH 39 41 ATOM 41 O LIG 1 -7.230 -3.684 2.507 0.00 0.00 -0.477 OA ATOM 42 H LIG 1 -6.703 -4.006 3.268 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 34 39 ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 9