REMARK Name = BDB039099 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -6.576 -0.778 -0.530 0.00 0.00 +0.403 C ATOM 2 N LIG 1 -5.530 0.128 -0.569 0.00 0.00 -0.263 N ATOM 3 C LIG 1 -4.235 -0.328 -0.078 0.00 0.00 +0.148 C ATOM 4 C LIG 1 -3.081 0.587 -0.403 0.00 0.00 +0.001 A ATOM 5 C LIG 1 -3.270 1.823 -1.063 0.00 0.00 -0.039 A ATOM 6 C LIG 1 -2.178 2.648 -1.368 0.00 0.00 +0.006 A ATOM 7 C LIG 1 -0.874 2.298 -1.009 0.00 0.00 +0.028 A ATOM 8 C LIG 1 -0.699 1.083 -0.338 0.00 0.00 +0.071 A ATOM 9 N LIG 1 0.410 0.421 0.158 0.00 0.00 -0.309 N ATOM 10 C LIG 1 -0.029 -0.750 0.737 0.00 0.00 +0.200 A ATOM 11 N LIG 1 -1.328 -0.880 0.626 0.00 0.00 -0.214 NA ATOM 12 C LIG 1 -4.656 2.230 -1.499 0.00 0.00 +0.054 C ATOM 13 C LIG 1 -1.764 0.240 -0.034 0.00 0.00 +0.096 A ATOM 14 C LIG 1 -5.735 1.568 -0.646 0.00 0.00 +0.116 C ATOM 15 O LIG 1 -6.445 -1.965 -0.254 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 N LIG 1 0.833 -1.623 1.326 0.00 0.00 -0.297 N ATOM 17 C LIG 1 0.623 -1.739 2.795 0.00 0.00 +0.136 C ATOM 18 C LIG 1 1.694 -2.661 3.396 0.00 0.00 +0.179 C ATOM 19 O LIG 1 1.659 -3.968 2.801 0.00 0.00 -0.377 OA ATOM 20 C LIG 1 1.847 -3.876 1.379 0.00 0.00 +0.179 C ATOM 21 C LIG 1 0.780 -2.984 0.726 0.00 0.00 +0.136 C ENDBRANCH 10 16 BRANCH 1 23 ATOM 22 C LIG 1 -8.876 -1.116 -0.812 0.00 0.00 +0.282 C ATOM 23 O LIG 1 -7.774 -0.208 -0.835 0.00 0.00 -0.454 OA ENDBRANCH 1 23 BRANCH 9 24 ATOM 24 C LIG 1 1.793 0.889 0.049 0.00 0.00 +0.092 C ATOM 25 C LIG 1 2.376 1.258 1.417 0.00 0.00 +0.031 C BRANCH 24 26 ATOM 26 C LIG 1 2.675 -0.101 -0.738 0.00 0.00 +0.060 C BRANCH 26 27 ATOM 27 C LIG 1 3.935 0.532 -1.285 0.00 0.00 -0.045 A ATOM 28 C LIG 1 5.157 0.384 -0.614 0.00 0.00 +0.018 A ATOM 29 C LIG 1 6.322 0.982 -1.113 0.00 0.00 +0.059 A ATOM 30 C LIG 1 6.265 1.732 -2.293 0.00 0.00 +0.015 A ATOM 31 C LIG 1 5.052 1.883 -2.967 0.00 0.00 +0.001 A ATOM 32 C LIG 1 3.894 1.287 -2.466 0.00 0.00 +0.004 A BRANCH 29 33 ATOM 33 C LIG 1 7.585 0.795 -0.359 0.00 0.00 +0.337 C ATOM 34 O LIG 1 7.708 0.174 0.680 0.00 0.00 -0.245 OA BRANCH 33 35 ATOM 35 O LIG 1 8.637 1.397 -0.942 0.00 0.00 -0.477 OA ATOM 36 H LIG 1 9.387 1.188 -0.345 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 29 33 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 9 24 TORSDOF 7