REMARK Name = BDB044740 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.723 -1.743 0.666 0.00 0.00 +0.157 C ATOM 2 N LIG 1 -3.541 -0.949 0.396 0.00 0.00 -0.262 N ATOM 3 C LIG 1 -3.719 0.451 0.372 0.00 0.00 +0.333 A ATOM 4 O LIG 1 -4.830 0.953 0.573 0.00 0.00 -0.246 OA ATOM 5 N LIG 1 -2.592 1.234 0.114 0.00 0.00 -0.280 N ATOM 6 C LIG 1 -2.689 2.681 0.071 0.00 0.00 +0.155 C ATOM 7 C LIG 1 -1.383 0.619 -0.101 0.00 0.00 +0.168 A ATOM 8 C LIG 1 -1.256 -0.733 -0.069 0.00 0.00 +0.149 A ATOM 9 N LIG 1 0.060 -0.983 -0.320 0.00 0.00 -0.336 N ATOM 10 H LIG 1 0.502 -1.893 -0.364 0.00 0.00 +0.167 HD ATOM 11 C LIG 1 0.672 0.240 -0.494 0.00 0.00 +0.110 A ATOM 12 N LIG 1 -0.195 1.230 -0.363 0.00 0.00 -0.214 NA ATOM 13 C LIG 1 -2.333 -1.619 0.184 0.00 0.00 +0.282 A ATOM 14 O LIG 1 -2.189 -2.837 0.208 0.00 0.00 -0.265 OA ENDROOT BRANCH 11 15 ATOM 15 C LIG 1 2.129 0.363 -0.784 0.00 0.00 +0.075 C BRANCH 15 16 ATOM 16 C LIG 1 2.938 0.477 0.512 0.00 0.00 +0.019 C BRANCH 16 17 ATOM 17 C LIG 1 4.444 0.512 0.257 0.00 0.00 +0.121 C BRANCH 17 18 ATOM 18 C LIG 1 4.988 -0.834 -0.143 0.00 0.00 +0.305 C ATOM 19 O LIG 1 4.362 -1.872 -0.276 0.00 0.00 -0.251 OA BRANCH 18 20 ATOM 20 O LIG 1 6.316 -0.796 -0.360 0.00 0.00 -0.481 OA ATOM 21 H LIG 1 6.553 -1.715 -0.604 0.00 0.00 +0.295 HD ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 11 15 TORSDOF 5