REMARK Name = BDB024442 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.058 0.734 -0.366 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.213 0.409 -1.846 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.923 1.292 -2.677 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.095 1.012 -4.034 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.567 -0.157 -4.577 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.871 -1.049 -3.764 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.699 -0.772 -2.407 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.276 0.225 0.264 0.00 0.00 +0.240 C ATOM 9 N LIG 1 1.377 0.881 -0.259 0.00 0.00 -0.269 N ATOM 10 H LIG 1 1.246 1.538 -1.018 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 0.333 -0.654 1.121 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 2.722 0.720 0.067 0.00 0.00 +0.125 A ATOM 13 N LIG 1 3.543 1.481 -0.686 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 4.876 1.394 -0.441 0.00 0.00 +0.121 A ATOM 15 C LIG 1 5.451 0.580 0.529 0.00 0.00 +0.003 A ATOM 16 C LIG 1 4.573 -0.189 1.292 0.00 0.00 +0.013 A ATOM 17 C LIG 1 3.196 -0.120 1.062 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 6.888 0.550 0.731 0.00 0.00 +0.021 A ATOM 19 C LIG 1 7.594 -0.485 1.311 0.00 0.00 +0.116 A ATOM 20 N LIG 1 8.908 -0.116 1.293 0.00 0.00 -0.274 N ATOM 21 C LIG 1 10.032 -0.873 1.789 0.00 0.00 +0.172 C ATOM 22 N LIG 1 9.116 1.090 0.737 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 7.890 1.493 0.397 0.00 0.00 +0.143 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -2.256 0.393 0.438 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -3.037 0.949 0.088 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.640 -1.025 0.402 0.00 0.00 +0.090 C BRANCH 26 27 ATOM 27 C LIG 1 -3.819 -1.306 1.368 0.00 0.00 +0.033 C ATOM 28 C LIG 1 -4.114 -2.810 1.421 0.00 0.00 +0.014 C BRANCH 27 33 ATOM 29 C LIG 1 -8.477 1.741 0.028 0.00 0.00 +0.088 C ATOM 30 C LIG 1 -7.276 0.922 0.383 0.00 0.00 +0.126 A ATOM 31 N LIG 1 -6.844 0.023 -0.519 0.00 0.00 -0.240 NA ATOM 32 C LIG 1 -5.748 -0.684 -0.182 0.00 0.00 +0.118 A ATOM 33 C LIG 1 -5.061 -0.528 1.006 0.00 0.00 -0.007 A ATOM 34 C LIG 1 -5.585 0.433 1.846 0.00 0.00 +0.118 A ATOM 35 N LIG 1 -6.678 1.170 1.562 0.00 0.00 -0.240 NA ENDBRANCH 27 33 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 8