REMARK Name = BDB019679 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.410 2.277 -0.109 0.00 0.00 -0.013 A ATOM 2 C LIG 1 -0.177 1.931 0.458 0.00 0.00 +0.021 A ATOM 3 C LIG 1 0.134 0.592 0.723 0.00 0.00 +0.038 A ATOM 4 C LIG 1 -0.806 -0.407 0.441 0.00 0.00 +0.018 A ATOM 5 C LIG 1 -2.046 -0.078 -0.132 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -2.334 1.268 -0.410 0.00 0.00 +0.013 A ENDROOT BRANCH 1 10 ATOM 7 N LIG 1 -1.527 5.722 -1.115 0.00 0.00 -0.271 N ATOM 8 N LIG 1 -2.734 5.714 -0.524 0.00 0.00 -0.167 NA ATOM 9 C LIG 1 -2.867 4.459 -0.044 0.00 0.00 +0.173 A ATOM 10 C LIG 1 -1.726 3.666 -0.379 0.00 0.00 +0.032 A ATOM 11 C LIG 1 -0.887 4.521 -1.062 0.00 0.00 +0.117 A BRANCH 9 12 ATOM 12 C LIG 1 -4.078 4.014 0.731 0.00 0.00 +0.437 C ATOM 13 F LIG 1 -4.887 3.213 -0.019 0.00 0.00 -0.164 F ATOM 14 F LIG 1 -3.743 3.285 1.832 0.00 0.00 -0.164 F ATOM 15 F LIG 1 -4.853 5.040 1.174 0.00 0.00 -0.164 F ENDBRANCH 9 12 BRANCH 7 17 ATOM 16 C LIG 1 -0.381 7.868 -0.728 0.00 0.00 +0.029 C ATOM 17 C LIG 1 -1.036 6.939 -1.734 0.00 0.00 +0.140 C ENDBRANCH 7 17 ENDBRANCH 1 10 BRANCH 3 18 ATOM 18 C LIG 1 1.458 0.285 1.332 0.00 0.00 +0.245 C ATOM 19 N LIG 1 1.969 -0.970 1.081 0.00 0.00 -0.304 N ATOM 20 H LIG 1 1.557 -1.528 0.350 0.00 0.00 +0.150 HD ATOM 21 O LIG 1 2.040 1.140 1.989 0.00 0.00 -0.270 OA BRANCH 19 22 ATOM 22 C LIG 1 3.316 -1.317 1.487 0.00 0.00 +0.107 C BRANCH 22 23 ATOM 23 C LIG 1 4.318 -0.941 0.405 0.00 0.00 -0.027 A ATOM 24 C LIG 1 4.333 -1.571 -0.855 0.00 0.00 +0.011 A ATOM 25 C LIG 1 5.260 -1.200 -1.839 0.00 0.00 -0.015 A ATOM 26 C LIG 1 5.261 -1.855 -3.186 0.00 0.00 +0.047 C ATOM 27 C LIG 1 6.154 -0.165 -1.562 0.00 0.00 +0.126 A ATOM 28 F LIG 1 7.033 0.227 -2.496 0.00 0.00 -0.205 F ATOM 29 C LIG 1 6.150 0.481 -0.332 0.00 0.00 +0.039 A ATOM 30 C LIG 1 5.235 0.096 0.648 0.00 0.00 +0.008 A ENDBRANCH 22 23 BRANCH 22 31 ATOM 31 C LIG 1 3.367 -2.796 1.792 0.00 0.00 +0.014 C ATOM 32 C LIG 1 2.939 -3.301 3.150 0.00 0.00 +0.006 C ATOM 33 C LIG 1 4.390 -3.345 2.757 0.00 0.00 +0.006 C ENDBRANCH 22 31 ENDBRANCH 19 22 ENDBRANCH 3 18 BRANCH 5 34 ATOM 34 C LIG 1 -3.056 -1.161 -0.433 0.00 0.00 +0.138 C BRANCH 34 35 ATOM 35 N LIG 1 -3.471 -1.784 0.806 0.00 0.00 -0.328 N ATOM 36 H LIG 1 -3.640 -1.111 1.545 0.00 0.00 +0.147 HD BRANCH 35 37 ATOM 37 C LIG 1 -4.221 -2.916 0.893 0.00 0.00 +0.093 C ATOM 38 N LIG 1 -4.943 -3.221 1.912 0.00 0.00 -0.289 NA ATOM 39 H LIG 1 -4.853 -2.502 2.630 0.00 0.00 +0.188 HD BRANCH 37 40 ATOM 40 C LIG 1 -4.217 -3.891 -0.246 0.00 0.00 +0.023 C ATOM 41 C LIG 1 -3.881 -5.339 0.097 0.00 0.00 +0.015 C ATOM 42 C LIG 1 -2.890 -4.514 -0.659 0.00 0.00 +0.015 C ATOM 43 C LIG 1 -5.270 -3.694 -1.311 0.00 0.00 +0.019 C ENDBRANCH 37 40 ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 5 34 TORSDOF 11