REMARK Name = BDB056332 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.394 -1.257 -0.787 0.00 0.00 +0.177 C ATOM 2 C LIG 1 -0.229 -2.023 -0.167 0.00 0.00 +0.242 C ATOM 3 O LIG 1 -0.448 -2.894 0.684 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 1.045 -1.684 -0.593 0.00 0.00 -0.264 N ATOM 5 C LIG 1 1.269 -0.764 -1.666 0.00 0.00 +0.058 A ATOM 6 C LIG 1 0.679 0.522 -1.701 0.00 0.00 +0.058 A ATOM 7 C LIG 1 0.999 1.381 -2.769 0.00 0.00 +0.025 A ATOM 8 C LIG 1 1.869 0.988 -3.786 0.00 0.00 +0.002 A ATOM 9 C LIG 1 2.445 -0.274 -3.750 0.00 0.00 +0.002 A ATOM 10 N LIG 1 -0.182 1.004 -0.660 0.00 0.00 -0.267 N ATOM 11 C LIG 1 -0.001 2.305 -0.150 0.00 0.00 +0.220 C ATOM 12 O LIG 1 0.917 3.053 -0.490 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 2.150 -1.138 -2.696 0.00 0.00 +0.025 A ATOM 14 C LIG 1 -1.315 0.169 -0.244 0.00 0.00 +0.145 C ENDROOT BRANCH 1 16 ATOM 15 C LIG 1 -3.841 -1.670 -0.960 0.00 0.00 +0.230 C ATOM 16 N LIG 1 -2.629 -1.935 -0.373 0.00 0.00 -0.301 N ATOM 17 H LIG 1 -2.516 -2.716 0.268 0.00 0.00 +0.150 HD ATOM 18 O LIG 1 -3.978 -0.752 -1.769 0.00 0.00 -0.274 OA BRANCH 15 19 ATOM 19 C LIG 1 -5.032 -2.531 -0.462 0.00 0.00 +0.137 C ATOM 20 C LIG 1 -4.734 -4.025 -0.549 0.00 0.00 +0.034 C BRANCH 19 22 ATOM 21 C LIG 1 -7.447 -2.231 -0.533 0.00 0.00 +0.101 C ATOM 22 N LIG 1 -6.213 -2.234 -1.304 0.00 0.00 -0.309 NA ATOM 23 H LIG 1 -6.073 -1.308 -1.724 0.00 0.00 +0.122 HD ENDBRANCH 19 22 ENDBRANCH 15 19 ENDBRANCH 1 16 BRANCH 4 24 ATOM 24 C LIG 1 2.204 -2.351 0.030 0.00 0.00 +0.153 C BRANCH 24 25 ATOM 25 C LIG 1 3.236 -1.368 0.576 0.00 0.00 +0.020 A ATOM 26 C LIG 1 2.919 -0.505 1.677 0.00 0.00 -0.010 A ATOM 27 C LIG 1 3.860 0.479 2.066 0.00 0.00 -0.017 A ATOM 28 C LIG 1 3.568 1.371 3.113 0.00 0.00 +0.008 A ATOM 29 C LIG 1 2.362 1.299 3.805 0.00 0.00 +0.001 A ATOM 30 C LIG 1 1.438 0.324 3.466 0.00 0.00 +0.001 A ATOM 31 C LIG 1 5.090 0.564 1.409 0.00 0.00 +0.012 A ATOM 32 C LIG 1 5.416 -0.313 0.376 0.00 0.00 +0.046 A ATOM 33 C LIG 1 1.715 -0.564 2.422 0.00 0.00 +0.009 A ATOM 34 C LIG 1 4.502 -1.276 -0.048 0.00 0.00 +0.125 A BRANCH 34 35 ATOM 35 O LIG 1 4.757 -2.178 -1.050 0.00 0.00 -0.495 OA ATOM 36 C LIG 1 5.936 -1.987 -1.823 0.00 0.00 +0.277 C ENDBRANCH 34 35 ENDBRANCH 24 25 ENDBRANCH 4 24 BRANCH 11 37 ATOM 37 C LIG 1 -0.993 2.749 0.929 0.00 0.00 +0.099 C BRANCH 37 38 ATOM 38 C LIG 1 -0.798 4.205 1.390 0.00 0.00 -0.008 C ATOM 39 C LIG 1 -1.302 5.196 0.337 0.00 0.00 +0.008 C ATOM 40 C LIG 1 -1.535 4.439 2.711 0.00 0.00 +0.008 C ENDBRANCH 37 38 ENDBRANCH 11 37 TORSDOF 8