REMARK Name = BDB058319 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.853 -1.657 -0.719 0.00 0.00 +0.113 A ATOM 2 N LIG 1 0.851 -0.520 -1.489 0.00 0.00 -0.292 N ATOM 3 C LIG 1 1.966 0.293 -1.513 0.00 0.00 +0.258 A ATOM 4 O LIG 1 2.066 1.301 -2.213 0.00 0.00 -0.267 OA ATOM 5 C LIG 1 3.094 -0.081 -0.619 0.00 0.00 +0.049 A ATOM 6 C LIG 1 2.959 -1.205 0.106 0.00 0.00 +0.055 A ATOM 7 N LIG 1 1.848 -2.004 0.031 0.00 0.00 -0.238 NA ENDROOT BRANCH 6 8 ATOM 8 C LIG 1 4.004 -1.709 1.101 0.00 0.00 +0.032 C ATOM 9 C LIG 1 3.447 -1.712 2.528 0.00 0.00 +0.014 C ATOM 10 C LIG 1 4.512 -3.102 0.717 0.00 0.00 +0.014 C ENDBRANCH 6 8 BRANCH 1 11 ATOM 11 C LIG 1 -0.337 -2.610 -0.739 0.00 0.00 +0.074 C BRANCH 11 12 ATOM 12 C LIG 1 -0.259 -3.614 -1.890 0.00 0.00 +0.007 C BRANCH 12 14 ATOM 13 C LIG 1 0.780 -5.734 -2.769 0.00 0.00 +0.004 C ATOM 14 C LIG 1 0.790 -4.703 -1.653 0.00 0.00 -0.003 C ENDBRANCH 12 14 ENDBRANCH 11 12 ENDBRANCH 1 11 BRANCH 2 15 ATOM 15 C LIG 1 -0.296 -0.083 -2.287 0.00 0.00 +0.161 C BRANCH 15 16 ATOM 16 C LIG 1 -1.386 0.592 -1.473 0.00 0.00 -0.028 A ATOM 17 C LIG 1 -2.728 0.400 -1.831 0.00 0.00 +0.006 A ATOM 18 C LIG 1 -3.755 0.992 -1.093 0.00 0.00 +0.009 A ATOM 19 C LIG 1 -3.471 1.791 0.025 0.00 0.00 -0.017 A ATOM 20 C LIG 1 -2.127 2.027 0.347 0.00 0.00 +0.009 A ATOM 21 C LIG 1 -1.097 1.441 -0.395 0.00 0.00 +0.006 A BRANCH 19 22 ATOM 22 C LIG 1 -4.554 2.341 0.854 0.00 0.00 -0.007 A ATOM 23 C LIG 1 -5.463 1.540 1.584 0.00 0.00 +0.028 A ATOM 24 C LIG 1 -6.524 2.138 2.287 0.00 0.00 +0.012 A ATOM 25 C LIG 1 -6.672 3.524 2.305 0.00 0.00 +0.001 A ATOM 26 C LIG 1 -5.767 4.325 1.618 0.00 0.00 +0.001 A ATOM 27 C LIG 1 -4.723 3.740 0.897 0.00 0.00 +0.009 A BRANCH 23 28 ATOM 28 C LIG 1 -5.373 0.068 1.673 0.00 0.00 +0.183 A ATOM 29 N LIG 1 -4.195 -0.570 1.683 0.00 0.00 -0.271 N ATOM 30 H LIG 1 -3.266 -0.198 1.602 0.00 0.00 +0.174 HD ATOM 31 C LIG 1 -4.459 -1.881 1.749 0.00 0.00 +0.440 A ATOM 32 O LIG 1 -3.634 -2.779 1.726 0.00 0.00 -0.221 OA ATOM 33 O LIG 1 -5.817 -2.044 1.833 0.00 0.00 -0.295 OA ATOM 34 N LIG 1 -6.383 -0.729 1.780 0.00 0.00 -0.054 NA ENDBRANCH 23 28 ENDBRANCH 19 22 ENDBRANCH 15 16 ENDBRANCH 2 15 BRANCH 5 35 ATOM 35 C LIG 1 4.239 0.894 -0.625 0.00 0.00 +0.163 C BRANCH 35 36 ATOM 36 C LIG 1 3.825 2.183 0.062 0.00 0.00 +0.312 C ATOM 37 O LIG 1 2.900 2.309 0.854 0.00 0.00 -0.250 OA BRANCH 36 38 ATOM 38 O LIG 1 4.676 3.188 -0.289 0.00 0.00 -0.455 OA BRANCH 38 39 ATOM 39 C LIG 1 4.351 4.461 0.303 0.00 0.00 +0.345 C BRANCH 39 40 ATOM 40 C LIG 1 5.326 5.534 -0.144 0.00 0.00 +0.424 C ATOM 41 F LIG 1 6.598 5.220 0.190 0.00 0.00 -0.167 F ATOM 42 F LIG 1 5.033 6.718 0.443 0.00 0.00 -0.167 F ATOM 43 F LIG 1 5.282 5.724 -1.481 0.00 0.00 -0.167 F ENDBRANCH 39 40 ENDBRANCH 38 39 ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 5 35 TORSDOF 13