REMARK Name = BDB039255 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.577 -0.318 -0.284 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.409 -0.977 0.057 0.00 0.00 -0.263 N ATOM 3 C LIG 1 4.105 -0.356 -0.163 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.926 -1.270 0.055 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.086 -2.609 0.479 0.00 0.00 -0.039 A ATOM 6 C LIG 1 1.973 -3.444 0.653 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.671 -2.980 0.446 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.522 -1.647 0.045 0.00 0.00 +0.071 A ATOM 9 N LIG 1 -0.577 -0.858 -0.242 0.00 0.00 -0.309 N ATOM 10 C LIG 1 -0.111 0.388 -0.606 0.00 0.00 +0.200 A ATOM 11 N LIG 1 1.198 0.443 -0.545 0.00 0.00 -0.214 NA ATOM 12 C LIG 1 4.474 -3.162 0.687 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.611 -0.803 -0.151 0.00 0.00 +0.096 A ATOM 14 C LIG 1 5.471 -2.059 1.027 0.00 0.00 +0.116 C ATOM 15 O LIG 1 7.698 -0.692 0.043 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 N LIG 1 -0.949 1.403 -0.959 0.00 0.00 -0.300 N ATOM 17 C LIG 1 -0.835 2.582 -0.072 0.00 0.00 +0.122 C ATOM 18 C LIG 1 -2.094 3.441 -0.251 0.00 0.00 +0.115 C ATOM 19 C LIG 1 -2.534 3.528 -1.722 0.00 0.00 +0.018 C ATOM 20 C LIG 1 -1.393 3.173 -2.671 0.00 0.00 +0.020 C ATOM 21 C LIG 1 -0.810 1.783 -2.387 0.00 0.00 +0.108 C BRANCH 18 22 ATOM 22 C LIG 1 -1.867 4.820 0.331 0.00 0.00 +0.309 C ATOM 23 O LIG 1 -0.778 5.317 0.564 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 -3.022 5.485 0.577 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 -3.830 4.986 0.350 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 18 22 ENDBRANCH 10 16 BRANCH 1 27 ATOM 26 C LIG 1 7.526 1.510 -1.401 0.00 0.00 +0.282 C ATOM 27 O LIG 1 6.346 0.799 -1.027 0.00 0.00 -0.454 OA ENDBRANCH 1 27 BRANCH 9 28 ATOM 28 C LIG 1 -1.972 -1.292 -0.146 0.00 0.00 +0.092 C ATOM 29 C LIG 1 -2.626 -1.404 -1.526 0.00 0.00 +0.031 C BRANCH 28 30 ATOM 30 C LIG 1 -2.784 -0.425 0.837 0.00 0.00 +0.060 C BRANCH 30 31 ATOM 31 C LIG 1 -4.027 -1.115 1.350 0.00 0.00 -0.045 A ATOM 32 C LIG 1 -3.941 -2.028 2.410 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -5.085 -2.677 2.877 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -6.322 -2.422 2.289 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.418 -1.517 1.234 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -5.276 -0.866 0.765 0.00 0.00 +0.004 A ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 9 28 TORSDOF 7