REMARK Name = BDB039185 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.039 -0.261 -0.833 0.00 0.00 +0.403 C ATOM 2 N LIG 1 4.982 -0.806 -0.127 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.720 -0.074 -0.139 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.539 -0.848 0.394 0.00 0.00 +0.001 A ATOM 5 C LIG 1 2.679 -2.150 0.925 0.00 0.00 -0.039 A ATOM 6 C LIG 1 1.561 -2.854 1.391 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.284 -2.287 1.378 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.157 -0.984 0.874 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.929 -0.126 0.703 0.00 0.00 -0.322 N ATOM 10 C LIG 1 -0.445 1.046 0.134 0.00 0.00 +0.114 A ATOM 11 N LIG 1 0.860 0.950 -0.051 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 4.034 -2.812 0.933 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.248 -0.280 0.391 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.163 -1.786 0.937 0.00 0.00 +0.116 C ATOM 15 O LIG 1 5.939 0.705 -1.581 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -1.156 2.326 -0.250 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -1.393 3.261 0.946 0.00 0.00 +0.012 C ATOM 18 C LIG 1 -2.626 4.157 0.788 0.00 0.00 +0.015 C ATOM 19 C LIG 1 -2.820 4.675 -0.639 0.00 0.00 +0.098 C ATOM 20 C LIG 1 -2.845 3.545 -1.687 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -2.367 2.185 -1.163 0.00 0.00 +0.012 C BRANCH 19 22 ATOM 22 C LIG 1 -1.767 5.730 -0.958 0.00 0.00 +0.308 C ATOM 23 O LIG 1 -0.766 5.543 -1.629 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 -2.041 6.933 -0.400 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 -2.864 6.957 0.122 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 19 22 ENDBRANCH 10 16 BRANCH 1 27 ATOM 26 C LIG 1 8.324 -0.383 -1.331 0.00 0.00 +0.282 C ATOM 27 O LIG 1 7.212 -0.917 -0.611 0.00 0.00 -0.454 OA ENDBRANCH 1 27 BRANCH 9 28 ATOM 28 C LIG 1 -2.297 -0.532 1.048 0.00 0.00 +0.119 C ATOM 29 C LIG 1 -3.041 0.443 1.961 0.00 0.00 +0.034 C BRANCH 28 30 ATOM 30 C LIG 1 -3.083 -1.018 -0.201 0.00 0.00 +0.167 C BRANCH 30 31 ATOM 31 C LIG 1 -2.950 -2.514 -0.428 0.00 0.00 -0.017 A ATOM 32 C LIG 1 -2.039 -3.004 -1.375 0.00 0.00 +0.006 A ATOM 33 C LIG 1 -1.891 -4.378 -1.571 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -2.648 -5.277 -0.823 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -3.554 -4.804 0.125 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -3.703 -3.431 0.324 0.00 0.00 +0.006 A ENDBRANCH 30 31 BRANCH 30 37 ATOM 37 O LIG 1 -4.473 -0.682 -0.114 0.00 0.00 -0.385 OA ATOM 38 H LIG 1 -4.935 -1.224 -0.780 0.00 0.00 +0.210 HD ENDBRANCH 30 37 ENDBRANCH 28 30 ENDBRANCH 9 28 TORSDOF 8