REMARK Name = BDB039257 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.739 -1.483 -0.856 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.857 -0.801 -0.036 0.00 0.00 -0.263 N ATOM 3 C LIG 1 4.433 -1.038 -0.246 0.00 0.00 +0.148 C ATOM 4 C LIG 1 3.521 -0.077 0.474 0.00 0.00 +0.001 A ATOM 5 C LIG 1 4.022 0.923 1.338 0.00 0.00 -0.039 A ATOM 6 C LIG 1 3.151 1.808 1.984 0.00 0.00 +0.006 A ATOM 7 C LIG 1 1.766 1.722 1.819 0.00 0.00 +0.028 A ATOM 8 C LIG 1 1.273 0.720 0.975 0.00 0.00 +0.069 A ATOM 9 N LIG 1 0.001 0.346 0.574 0.00 0.00 -0.322 N ATOM 10 C LIG 1 0.131 -0.753 -0.265 0.00 0.00 +0.114 A ATOM 11 N LIG 1 1.404 -1.054 -0.430 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 5.511 1.073 1.520 0.00 0.00 +0.054 C ATOM 13 C LIG 1 2.121 -0.164 0.319 0.00 0.00 +0.094 A ATOM 14 C LIG 1 6.248 -0.236 1.249 0.00 0.00 +0.116 C ATOM 15 O LIG 1 6.399 -2.148 -1.827 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -0.964 -1.557 -0.926 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -1.755 -0.791 -1.999 0.00 0.00 +0.012 C ATOM 18 C LIG 1 -3.272 -0.829 -1.800 0.00 0.00 +0.018 C ATOM 19 C LIG 1 -3.853 -2.234 -1.515 0.00 0.00 +0.065 C ATOM 20 C LIG 1 -4.172 -2.960 -2.835 0.00 0.00 +0.023 C ATOM 21 C LIG 1 -2.892 -3.129 -0.690 0.00 0.00 +0.018 C ATOM 22 C LIG 1 -1.841 -2.320 0.070 0.00 0.00 +0.012 C BRANCH 19 23 ATOM 23 C LIG 1 -5.125 -2.018 -0.692 0.00 0.00 +0.311 C ATOM 24 O LIG 1 -5.176 -1.881 0.521 0.00 0.00 -0.250 OA BRANCH 23 25 ATOM 25 O LIG 1 -6.247 -1.902 -1.423 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -6.949 -1.732 -0.761 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 10 16 BRANCH 1 28 ATOM 27 C LIG 1 8.975 -2.021 -1.295 0.00 0.00 +0.282 C ATOM 28 O LIG 1 8.036 -1.336 -0.467 0.00 0.00 -0.454 OA ENDBRANCH 1 28 BRANCH 9 29 ATOM 29 C LIG 1 -1.252 1.012 0.952 0.00 0.00 +0.119 C BRANCH 29 30 ATOM 30 C LIG 1 -1.277 2.494 0.526 0.00 0.00 +0.062 C BRANCH 30 31 ATOM 31 C LIG 1 -2.681 3.043 0.403 0.00 0.00 -0.045 A ATOM 32 C LIG 1 -3.308 3.646 1.500 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -4.613 4.129 1.391 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.301 4.015 0.185 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -4.685 3.420 -0.914 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -3.381 2.937 -0.807 0.00 0.00 +0.004 A ENDBRANCH 30 31 ENDBRANCH 29 30 BRANCH 29 37 ATOM 37 C LIG 1 -1.628 0.744 2.423 0.00 0.00 +0.181 C BRANCH 37 38 ATOM 38 O LIG 1 -1.049 1.678 3.328 0.00 0.00 -0.393 OA ATOM 39 H LIG 1 -1.262 1.369 4.227 0.00 0.00 +0.209 HD ENDBRANCH 37 38 ENDBRANCH 29 37 ENDBRANCH 9 29 TORSDOF 9