REMARK Name = BDB002360 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.159 0.994 1.227 0.00 0.00 +0.161 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -1.828 0.544 -0.161 0.00 0.00 +0.234 C ATOM 3 N LIG 1 -1.159 0.396 1.037 0.00 0.00 -0.302 N ATOM 4 H LIG 1 -1.304 -0.481 1.526 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 -1.479 1.342 -1.031 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 -3.035 -0.404 -0.348 0.00 0.00 +0.161 C BRANCH 6 8 ATOM 7 C LIG 1 -4.960 0.942 -1.105 0.00 0.00 +0.230 C ATOM 8 N LIG 1 -3.870 0.152 -1.411 0.00 0.00 -0.302 N ATOM 9 H LIG 1 -3.364 0.407 -2.253 0.00 0.00 +0.150 HD ATOM 10 O LIG 1 -5.418 1.045 0.032 0.00 0.00 -0.274 OA BRANCH 7 11 ATOM 11 C LIG 1 -5.554 1.690 -2.319 0.00 0.00 +0.137 C ATOM 12 C LIG 1 -4.751 2.966 -2.554 0.00 0.00 +0.034 C BRANCH 11 14 ATOM 13 C LIG 1 -7.844 0.890 -2.188 0.00 0.00 +0.101 C ATOM 14 N LIG 1 -6.968 2.051 -2.076 0.00 0.00 -0.309 NA ATOM 15 H LIG 1 -7.026 2.402 -1.114 0.00 0.00 +0.122 HD ENDBRANCH 11 14 ENDBRANCH 7 11 ENDBRANCH 6 8 BRANCH 6 16 ATOM 16 C LIG 1 -2.577 -1.848 -0.652 0.00 0.00 +0.012 C ATOM 17 C LIG 1 -3.772 -2.807 -0.655 0.00 0.00 +0.009 C ATOM 18 C LIG 1 -1.802 -1.978 -1.968 0.00 0.00 +0.009 C ENDBRANCH 6 16 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 19 ATOM 19 C LIG 1 1.214 -0.082 0.881 0.00 0.00 +0.234 C ATOM 20 N LIG 1 2.481 0.410 0.645 0.00 0.00 -0.311 N ATOM 21 H LIG 1 2.660 1.394 0.804 0.00 0.00 +0.149 HD ATOM 22 O LIG 1 0.942 -1.282 0.861 0.00 0.00 -0.274 OA BRANCH 20 23 ATOM 23 C LIG 1 3.621 -0.476 0.430 0.00 0.00 +0.078 C ATOM 24 C LIG 1 4.718 0.232 -0.379 0.00 0.00 +0.057 C ATOM 25 C LIG 1 6.022 -0.526 -0.420 0.00 0.00 -0.042 A ATOM 26 C LIG 1 6.309 -1.543 0.508 0.00 0.00 -0.044 A ATOM 27 C LIG 1 7.543 -2.206 0.443 0.00 0.00 +0.004 A ATOM 28 C LIG 1 8.493 -1.847 -0.513 0.00 0.00 +0.000 A ATOM 29 C LIG 1 8.217 -0.827 -1.418 0.00 0.00 +0.000 A ATOM 30 C LIG 1 5.295 -1.984 1.534 0.00 0.00 +0.037 C ATOM 31 C LIG 1 6.989 -0.168 -1.371 0.00 0.00 +0.004 A ATOM 32 C LIG 1 4.188 -0.959 1.767 0.00 0.00 +0.027 C ENDBRANCH 20 23 ENDBRANCH 1 19 BRANCH 1 33 ATOM 33 C LIG 1 0.362 1.542 2.657 0.00 0.00 +0.012 C ATOM 34 C LIG 1 0.162 0.486 3.749 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -0.558 2.739 2.915 0.00 0.00 +0.009 C ENDBRANCH 1 33 TORSDOF 9