REMARK Name = BDB026931 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.862 -0.264 -0.810 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.234 -0.884 0.534 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -1.332 -2.270 0.732 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.695 -2.790 1.977 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.971 -1.935 3.041 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.888 -0.557 2.863 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.524 -0.036 1.620 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.039 -1.178 -1.753 0.00 0.00 +0.188 C ATOM 9 O LIG 1 -0.569 -2.060 -2.436 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 4.740 0.404 0.238 0.00 0.00 +0.055 A ATOM 11 C LIG 1 4.760 -0.084 -1.015 0.00 0.00 +0.126 A ATOM 12 N LIG 1 3.584 -0.539 -1.609 0.00 0.00 -0.238 N ATOM 13 C LIG 1 2.341 -0.511 -0.956 0.00 0.00 +0.077 A ATOM 14 C LIG 1 1.407 -0.992 -1.859 0.00 0.00 +0.064 A ATOM 15 C LIG 1 2.179 -1.336 -2.990 0.00 0.00 +0.146 A ATOM 16 C LIG 1 2.335 -0.058 0.398 0.00 0.00 +0.029 A ATOM 17 N LIG 1 3.471 -1.048 -2.858 0.00 0.00 -0.174 NA ATOM 18 C LIG 1 3.475 0.377 0.964 0.00 0.00 +0.016 A BRANCH 10 21 ATOM 19 N LIG 1 6.878 1.537 0.114 0.00 0.00 -0.312 N ATOM 20 H LIG 1 6.663 1.698 -0.860 0.00 0.00 +0.149 HD ATOM 21 C LIG 1 5.981 0.879 0.922 0.00 0.00 +0.246 C ATOM 22 O LIG 1 6.137 0.717 2.127 0.00 0.00 -0.270 OA BRANCH 19 24 ATOM 23 C LIG 1 9.204 0.972 0.653 0.00 0.00 +0.024 C ATOM 24 C LIG 1 8.132 2.047 0.627 0.00 0.00 +0.101 C ENDBRANCH 19 24 ENDBRANCH 10 21 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 25 ATOM 25 N LIG 1 -2.040 0.354 -1.487 0.00 0.00 -0.303 NA ATOM 26 H LIG 1 -2.504 0.941 -0.795 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.023 -0.613 -2.005 0.00 0.00 +0.089 C BRANCH 27 28 ATOM 28 C LIG 1 -4.473 -0.051 -2.050 0.00 0.00 +0.030 C ATOM 29 C LIG 1 -4.585 1.113 -3.043 0.00 0.00 +0.014 C BRANCH 28 30 ATOM 30 C LIG 1 -4.994 0.243 -0.643 0.00 0.00 -0.043 A ATOM 31 C LIG 1 -5.275 -0.837 0.212 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -5.695 -0.626 1.528 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -5.847 0.674 2.012 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -5.586 1.758 1.170 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -5.163 1.544 -0.146 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -6.258 0.895 3.366 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -6.582 1.077 4.466 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 10