REMARK Name = BDB049204 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.816 1.021 -1.016 0.00 0.00 +0.004 A ATOM 2 C LIG 1 -2.659 0.603 0.020 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -3.839 -0.105 -0.257 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -4.166 -0.440 -1.581 0.00 0.00 +0.078 A ATOM 5 C LIG 1 -3.323 0.000 -2.615 0.00 0.00 +0.017 A ATOM 6 C LIG 1 -2.163 0.729 -2.337 0.00 0.00 +0.011 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 3.435 1.070 -1.313 0.00 0.00 -0.010 A ATOM 8 C LIG 1 2.939 2.188 -0.728 0.00 0.00 +0.055 A ATOM 9 C LIG 1 1.538 2.367 -0.540 0.00 0.00 +0.139 A ATOM 10 N LIG 1 0.692 1.361 -0.995 0.00 0.00 -0.299 N ATOM 11 C LIG 1 -0.602 1.768 -0.711 0.00 0.00 +0.073 A ATOM 12 C LIG 1 -0.448 2.989 -0.077 0.00 0.00 +0.139 A ATOM 13 C LIG 1 1.167 0.197 -1.594 0.00 0.00 +0.094 A ATOM 14 N LIG 1 0.868 3.351 0.020 0.00 0.00 -0.235 NA ATOM 15 C LIG 1 2.490 0.032 -1.761 0.00 0.00 +0.027 A BRANCH 7 19 ATOM 16 N LIG 1 6.848 -0.003 -1.715 0.00 0.00 -0.270 N ATOM 17 N LIG 1 7.071 1.322 -1.819 0.00 0.00 -0.179 NA ATOM 18 C LIG 1 5.857 1.859 -1.672 0.00 0.00 +0.142 A ATOM 19 C LIG 1 4.848 0.885 -1.500 0.00 0.00 +0.020 A ATOM 20 C LIG 1 5.526 -0.314 -1.550 0.00 0.00 +0.116 A BRANCH 16 21 ATOM 21 C LIG 1 7.948 -0.935 -1.863 0.00 0.00 +0.158 C BRANCH 21 22 ATOM 22 C LIG 1 9.057 -0.782 -0.810 0.00 0.00 +0.107 C BRANCH 22 24 ATOM 23 C LIG 1 7.807 -1.169 1.249 0.00 0.00 +0.104 C ATOM 24 N LIG 1 8.901 -1.635 0.393 0.00 0.00 -0.307 NA ATOM 25 C LIG 1 10.150 -1.632 1.163 0.00 0.00 +0.104 C ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 16 21 ENDBRANCH 7 19 ENDBRANCH 1 11 BRANCH 4 26 ATOM 26 C LIG 1 -5.372 -1.223 -1.987 0.00 0.00 +0.245 C ATOM 27 O LIG 1 -5.681 -1.355 -3.167 0.00 0.00 -0.270 OA ATOM 28 N LIG 1 -6.123 -1.810 -1.013 0.00 0.00 -0.325 N ATOM 29 H LIG 1 -6.906 -2.387 -1.290 0.00 0.00 +0.145 HD ATOM 30 H LIG 1 -5.855 -1.779 -0.035 0.00 0.00 +0.145 HD ENDBRANCH 4 26 BRANCH 3 31 ATOM 31 O LIG 1 -4.638 -0.525 0.777 0.00 0.00 -0.487 OA BRANCH 31 32 ATOM 32 C LIG 1 -5.098 0.559 1.595 0.00 0.00 +0.264 C BRANCH 32 33 ATOM 33 C LIG 1 -6.359 0.099 2.281 0.00 0.00 -0.010 A ATOM 34 C LIG 1 -7.597 0.195 1.625 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -8.778 -0.254 2.240 0.00 0.00 +0.055 A ATOM 36 C LIG 1 -8.702 -0.821 3.520 0.00 0.00 +0.012 A ATOM 37 C LIG 1 -7.475 -0.930 4.174 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -6.309 -0.476 3.557 0.00 0.00 +0.007 A BRANCH 35 39 ATOM 39 C LIG 1 -10.097 -0.164 1.511 0.00 0.00 +0.417 C ATOM 40 F LIG 1 -10.215 0.970 0.766 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -11.175 -0.174 2.345 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -10.281 -1.202 0.649 0.00 0.00 -0.166 F ENDBRANCH 35 39 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 3 31 TORSDOF 10