REMARK Name = BDB035240 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 8.008 -1.506 -1.053 0.00 0.00 +0.086 C ATOM 2 C LIG 1 6.525 -1.491 -0.762 0.00 0.00 +0.111 A ATOM 3 N LIG 1 5.894 -0.298 -0.487 0.00 0.00 -0.284 N ATOM 4 C LIG 1 4.500 -0.253 -0.369 0.00 0.00 +0.263 A ATOM 5 O LIG 1 3.889 0.812 -0.331 0.00 0.00 -0.267 OA ATOM 6 C LIG 1 3.765 -1.547 -0.316 0.00 0.00 +0.069 A ATOM 7 C LIG 1 4.552 -2.687 -0.515 0.00 0.00 +0.078 A ATOM 8 C LIG 1 3.964 -3.951 -0.466 0.00 0.00 +0.028 A ATOM 9 C LIG 1 2.605 -4.087 -0.217 0.00 0.00 +0.002 A ATOM 10 C LIG 1 1.819 -2.952 -0.020 0.00 0.00 +0.006 A ATOM 11 C LIG 1 2.366 -1.656 -0.071 0.00 0.00 -0.019 A ATOM 12 N LIG 1 5.922 -2.633 -0.774 0.00 0.00 -0.234 NA ENDROOT BRANCH 3 13 ATOM 13 C LIG 1 6.606 0.995 -0.478 0.00 0.00 +0.178 C ATOM 14 C LIG 1 6.289 1.787 -1.753 0.00 0.00 +0.242 C ATOM 15 O LIG 1 6.087 1.254 -2.843 0.00 0.00 -0.273 OA ATOM 16 N LIG 1 6.365 3.157 -1.648 0.00 0.00 -0.255 N ATOM 17 H LIG 1 6.173 3.675 -2.495 0.00 0.00 +0.158 HD ATOM 18 C LIG 1 6.802 3.898 -0.579 0.00 0.00 +0.219 C ATOM 19 O LIG 1 6.960 5.112 -0.673 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 7.170 3.134 0.671 0.00 0.00 +0.099 C ATOM 21 C LIG 1 6.382 1.837 0.784 0.00 0.00 +0.044 C ENDBRANCH 3 13 BRANCH 11 22 ATOM 22 C LIG 1 1.514 -0.410 0.140 0.00 0.00 +0.120 C BRANCH 22 23 ATOM 23 N LIG 1 0.076 -0.535 0.362 0.00 0.00 -0.295 NA ATOM 24 C LIG 1 -0.360 -1.040 1.661 0.00 0.00 +0.103 C ATOM 25 C LIG 1 -1.716 -1.776 1.624 0.00 0.00 +0.123 C ATOM 26 N LIG 1 -2.716 -1.053 0.832 0.00 0.00 -0.299 N ATOM 27 C LIG 1 -4.035 -1.105 1.258 0.00 0.00 +0.222 C ATOM 28 O LIG 1 -4.345 -1.889 2.165 0.00 0.00 -0.275 OA ATOM 29 C LIG 1 -2.258 -0.625 -0.494 0.00 0.00 +0.123 C ATOM 30 C LIG 1 -0.759 -0.886 -0.775 0.00 0.00 +0.103 C BRANCH 27 31 ATOM 31 C LIG 1 -5.115 -0.139 0.688 0.00 0.00 +0.048 C ATOM 32 C LIG 1 -6.455 -0.429 1.446 0.00 0.00 +0.019 C ATOM 33 C LIG 1 -7.578 0.522 1.006 0.00 0.00 -0.009 C ATOM 34 C LIG 1 -7.151 1.969 1.291 0.00 0.00 +0.007 C ATOM 35 C LIG 1 -5.858 2.290 0.527 0.00 0.00 -0.009 C ATOM 36 C LIG 1 -6.103 2.103 -0.979 0.00 0.00 +0.007 C ATOM 37 C LIG 1 -6.535 0.655 -1.270 0.00 0.00 -0.009 C ATOM 38 C LIG 1 -7.822 0.343 -0.497 0.00 0.00 +0.007 C ATOM 39 C LIG 1 -4.742 1.334 0.988 0.00 0.00 +0.019 C ATOM 40 C LIG 1 -5.413 -0.301 -0.820 0.00 0.00 +0.019 C ENDBRANCH 27 31 ENDBRANCH 22 23 ENDBRANCH 11 22 TORSDOF 4