REMARK Name = BDB010155 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.585 -0.924 1.068 0.00 0.00 +0.199 A ATOM 2 N LIG 1 -0.525 -0.475 0.304 0.00 0.00 -0.303 N ATOM 3 C LIG 1 0.628 -1.019 0.825 0.00 0.00 +0.130 A ATOM 4 C LIG 1 0.177 -1.840 1.844 0.00 0.00 +0.185 A ATOM 5 N LIG 1 0.973 -2.613 2.596 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 2.263 -2.515 2.244 0.00 0.00 +0.242 A ATOM 7 N LIG 1 2.791 -1.738 1.269 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 1.986 -0.943 0.541 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -1.175 -1.764 1.987 0.00 0.00 -0.194 NA ENDROOT BRANCH 1 10 ATOM 10 N LIG 1 -2.853 -0.510 0.861 0.00 0.00 -0.308 N ATOM 11 H LIG 1 -3.120 0.075 0.077 0.00 0.00 +0.149 HD BRANCH 10 12 ATOM 12 C LIG 1 -3.965 -1.297 1.393 0.00 0.00 +0.103 C BRANCH 12 13 ATOM 13 C LIG 1 -4.742 -1.837 0.196 0.00 0.00 -0.027 A ATOM 14 C LIG 1 -5.835 -1.166 -0.374 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -6.487 -1.687 -1.496 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -6.047 -2.877 -2.071 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -4.954 -3.548 -1.530 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -4.305 -3.030 -0.408 0.00 0.00 +0.005 A ENDBRANCH 12 13 BRANCH 12 20 ATOM 19 C LIG 1 -4.059 -0.125 3.652 0.00 0.00 +0.006 C ATOM 20 C LIG 1 -4.795 -0.424 2.351 0.00 0.00 +0.024 C ENDBRANCH 12 20 ENDBRANCH 10 12 ENDBRANCH 1 10 BRANCH 6 21 ATOM 21 C LIG 1 3.258 -3.337 3.020 0.00 0.00 +0.375 C ATOM 22 O LIG 1 4.469 -3.352 2.869 0.00 0.00 -0.242 OA BRANCH 21 23 ATOM 23 O LIG 1 2.690 -4.112 3.974 0.00 0.00 -0.475 OA ATOM 24 H LIG 1 3.447 -4.568 4.396 0.00 0.00 +0.296 HD ENDBRANCH 21 23 ENDBRANCH 6 21 BRANCH 8 25 ATOM 25 N LIG 1 2.507 -0.106 -0.439 0.00 0.00 -0.324 N ATOM 26 H LIG 1 2.036 0.792 -0.460 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 3.967 0.015 -0.539 0.00 0.00 +0.072 C ATOM 28 C LIG 1 4.479 1.005 0.511 0.00 0.00 +0.028 C BRANCH 27 29 ATOM 29 C LIG 1 4.314 0.544 -1.944 0.00 0.00 +0.009 C ATOM 30 C LIG 1 3.981 -0.397 -3.137 0.00 0.00 +0.005 C ATOM 31 C LIG 1 5.438 -0.893 -3.084 0.00 0.00 +0.001 C ATOM 32 C LIG 1 5.799 0.434 -2.390 0.00 0.00 +0.005 C ENDBRANCH 27 29 ENDBRANCH 25 27 ENDBRANCH 8 25 BRANCH 2 33 ATOM 33 C LIG 1 -0.622 0.308 -0.919 0.00 0.00 +0.160 C BRANCH 33 34 ATOM 34 C LIG 1 -0.311 1.776 -0.730 0.00 0.00 -0.028 A ATOM 35 C LIG 1 0.307 2.477 -1.778 0.00 0.00 +0.006 A ATOM 36 C LIG 1 0.604 3.836 -1.655 0.00 0.00 +0.013 A ATOM 37 C LIG 1 0.277 4.533 -0.481 0.00 0.00 +0.055 A ATOM 38 C LIG 1 -0.371 3.844 0.555 0.00 0.00 +0.013 A ATOM 39 C LIG 1 -0.665 2.483 0.429 0.00 0.00 +0.006 A BRANCH 37 40 ATOM 40 C LIG 1 0.582 6.007 -0.361 0.00 0.00 +0.417 C ATOM 41 F LIG 1 1.770 6.347 -0.933 0.00 0.00 -0.166 F ATOM 42 F LIG 1 0.651 6.440 0.929 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -0.360 6.779 -0.968 0.00 0.00 -0.166 F ENDBRANCH 37 40 ENDBRANCH 33 34 ENDBRANCH 2 33 TORSDOF 12