REMARK Name = BDB043576 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.237 -0.920 -0.920 0.00 0.00 +0.176 C ATOM 2 C LIG 1 -0.991 -0.416 -0.139 0.00 0.00 +0.235 C ATOM 3 O LIG 1 -0.958 -0.174 1.065 0.00 0.00 -0.274 OA ATOM 4 N LIG 1 -2.157 -0.366 -0.875 0.00 0.00 -0.308 N ATOM 5 H LIG 1 -2.088 -0.205 -1.873 0.00 0.00 +0.149 HD ATOM 6 C LIG 1 -3.451 -0.043 -0.252 0.00 0.00 +0.113 C ATOM 7 C LIG 1 -4.563 -0.896 -0.898 0.00 0.00 +0.243 C ATOM 8 C LIG 1 -4.401 -2.358 -0.449 0.00 0.00 +0.338 C ATOM 9 O LIG 1 -4.830 -2.821 0.598 0.00 0.00 -0.248 OA ATOM 10 O LIG 1 -3.694 -3.050 -1.393 0.00 0.00 -0.463 OA ATOM 11 C LIG 1 -3.403 -4.425 -1.077 0.00 0.00 +0.232 C ATOM 12 C LIG 1 -2.244 -4.858 -1.977 0.00 0.00 +0.050 C ATOM 13 C LIG 1 -0.967 -5.291 -1.257 0.00 0.00 +0.099 C ATOM 14 C LIG 1 -0.595 -4.536 0.002 0.00 0.00 +0.213 C ATOM 15 O LIG 1 -0.636 -5.090 1.102 0.00 0.00 -0.276 OA ATOM 16 N LIG 1 -0.205 -3.237 -0.059 0.00 0.00 -0.313 N ATOM 17 H LIG 1 0.048 -2.873 0.856 0.00 0.00 +0.149 HD ATOM 18 C LIG 1 0.061 -2.418 -1.234 0.00 0.00 +0.136 C ENDROOT BRANCH 1 20 ATOM 19 C LIG 1 2.170 0.491 -0.340 0.00 0.00 +0.234 C ATOM 20 N LIG 1 1.465 -0.678 -0.164 0.00 0.00 -0.301 N ATOM 21 H LIG 1 1.544 -1.124 0.746 0.00 0.00 +0.150 HD ATOM 22 O LIG 1 1.829 1.347 -1.158 0.00 0.00 -0.274 OA BRANCH 19 23 ATOM 23 C LIG 1 3.417 0.653 0.557 0.00 0.00 +0.166 C BRANCH 23 25 ATOM 24 C LIG 1 5.259 1.097 -0.999 0.00 0.00 +0.401 C ATOM 25 N LIG 1 4.317 1.572 -0.136 0.00 0.00 -0.269 N ATOM 26 H LIG 1 3.940 2.469 -0.418 0.00 0.00 +0.153 HD ATOM 27 O LIG 1 5.620 -0.066 -1.068 0.00 0.00 -0.226 OA BRANCH 24 28 ATOM 28 O LIG 1 5.700 2.119 -1.764 0.00 0.00 -0.445 OA BRANCH 28 30 ATOM 29 C LIG 1 6.191 0.937 -3.871 0.00 0.00 +0.055 C ATOM 30 C LIG 1 6.703 1.896 -2.789 0.00 0.00 +0.107 C ATOM 31 C LIG 1 8.026 1.417 -2.180 0.00 0.00 +0.055 C ATOM 32 C LIG 1 6.922 3.280 -3.422 0.00 0.00 +0.055 C ENDBRANCH 28 30 ENDBRANCH 24 28 ENDBRANCH 23 25 BRANCH 23 33 ATOM 33 C LIG 1 3.042 1.203 1.940 0.00 0.00 +0.067 C BRANCH 33 34 ATOM 34 C LIG 1 2.571 0.134 2.898 0.00 0.00 -0.045 A ATOM 35 C LIG 1 3.463 -0.833 3.381 0.00 0.00 +0.004 A ATOM 36 C LIG 1 3.019 -1.840 4.239 0.00 0.00 +0.000 A ATOM 37 C LIG 1 1.681 -1.890 4.623 0.00 0.00 +0.000 A ATOM 38 C LIG 1 0.790 -0.926 4.159 0.00 0.00 +0.000 A ATOM 39 C LIG 1 1.234 0.086 3.308 0.00 0.00 +0.004 A ENDBRANCH 33 34 ENDBRANCH 23 33 ENDBRANCH 19 23 ENDBRANCH 1 20 BRANCH 7 40 ATOM 40 O LIG 1 -4.544 -0.729 -2.322 0.00 0.00 -0.379 OA ATOM 41 H LIG 1 -4.131 -1.537 -2.683 0.00 0.00 +0.211 HD ENDBRANCH 7 40 BRANCH 6 42 ATOM 42 C LIG 1 -3.688 1.476 -0.382 0.00 0.00 +0.029 C BRANCH 42 43 ATOM 43 C LIG 1 -4.930 2.021 0.355 0.00 0.00 -0.009 C ATOM 44 C LIG 1 -5.077 3.541 0.120 0.00 0.00 +0.003 C ATOM 45 C LIG 1 -4.530 4.364 1.281 0.00 0.00 +0.000 C ATOM 46 C LIG 1 -5.268 4.058 2.584 0.00 0.00 +0.000 C ATOM 47 C LIG 1 -5.763 2.615 2.678 0.00 0.00 +0.000 C ATOM 48 C LIG 1 -4.902 1.666 1.854 0.00 0.00 +0.003 C ENDBRANCH 42 43 ENDBRANCH 6 42 TORSDOF 10