REMARK Name = BDB056974 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.860 1.841 -1.436 0.00 0.00 +0.249 C ATOM 2 N LIG 1 -1.797 1.698 -0.443 0.00 0.00 -0.265 N ATOM 3 H LIG 1 -2.418 2.490 -0.394 0.00 0.00 +0.157 HD ATOM 4 O LIG 1 -0.926 2.812 -2.190 0.00 0.00 -0.270 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 -2.102 0.578 0.332 0.00 0.00 +0.154 A ATOM 6 C LIG 1 -3.099 0.633 1.289 0.00 0.00 +0.126 A ATOM 7 C LIG 1 -3.414 -0.493 2.030 0.00 0.00 +0.183 A ATOM 8 N LIG 1 -4.420 -0.234 2.920 0.00 0.00 -0.216 NA ATOM 9 C LIG 1 -4.719 1.032 2.739 0.00 0.00 +0.199 A ATOM 10 N LIG 1 -2.799 -1.677 1.877 0.00 0.00 -0.214 NA ATOM 11 C LIG 1 -1.853 -1.648 0.933 0.00 0.00 +0.225 A ATOM 12 N LIG 1 -3.946 1.599 1.763 0.00 0.00 -0.340 N ATOM 13 H LIG 1 -3.995 2.562 1.463 0.00 0.00 +0.167 HD ATOM 14 N LIG 1 -1.483 -0.604 0.163 0.00 0.00 -0.218 NA ENDBRANCH 2 5 BRANCH 1 17 ATOM 15 C LIG 1 2.217 -0.242 -0.752 0.00 0.00 +0.060 A ATOM 16 C LIG 1 1.141 0.633 -0.557 0.00 0.00 +0.028 A ATOM 17 C LIG 1 0.254 0.888 -1.607 0.00 0.00 +0.038 A ATOM 18 C LIG 1 0.463 0.317 -2.867 0.00 0.00 +0.013 A ATOM 19 C LIG 1 1.536 -0.551 -3.064 0.00 0.00 +0.002 A ATOM 20 C LIG 1 2.408 -0.835 -2.010 0.00 0.00 +0.015 A BRANCH 15 21 ATOM 21 C LIG 1 3.124 -0.500 0.399 0.00 0.00 +0.339 C ATOM 22 O LIG 1 3.000 0.039 1.487 0.00 0.00 -0.245 OA BRANCH 21 24 ATOM 23 C LIG 1 4.989 -1.703 1.125 0.00 0.00 +0.280 C ATOM 24 O LIG 1 4.080 -1.403 0.064 0.00 0.00 -0.464 OA ENDBRANCH 21 24 ENDBRANCH 15 21 ENDBRANCH 1 17 TORSDOF 4