REMARK Name = BDB000043 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.306 0.507 0.914 0.00 0.00 -0.313 N ATOM 2 H LIG 1 0.016 0.279 -0.031 0.00 0.00 +0.152 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 0.515 -0.013 1.922 0.00 0.00 +0.044 A ATOM 4 C LIG 1 1.819 -0.404 1.642 0.00 0.00 +0.071 A ATOM 5 C LIG 1 2.545 -0.416 0.372 0.00 0.00 +0.256 C ATOM 6 N LIG 1 3.811 -0.860 0.640 0.00 0.00 -0.222 N ATOM 7 C LIG 1 3.947 -1.209 1.956 0.00 0.00 +0.255 C ATOM 8 O LIG 1 4.912 -1.686 2.522 0.00 0.00 -0.270 OA ATOM 9 O LIG 1 2.050 -0.107 -0.697 0.00 0.00 -0.269 OA ATOM 10 C LIG 1 2.679 -0.895 2.609 0.00 0.00 +0.051 A ATOM 11 C LIG 1 2.300 -1.034 3.927 0.00 0.00 +0.014 A ATOM 12 C LIG 1 0.997 -0.655 4.251 0.00 0.00 +0.003 A ATOM 13 C LIG 1 0.120 -0.152 3.261 0.00 0.00 +0.024 A BRANCH 6 14 ATOM 14 C LIG 1 4.815 -1.175 -0.365 0.00 0.00 +0.171 C ATOM 15 C LIG 1 4.422 -2.473 -1.080 0.00 0.00 +0.240 C ATOM 16 O LIG 1 3.682 -3.325 -0.592 0.00 0.00 -0.273 OA ATOM 17 N LIG 1 5.011 -2.679 -2.308 0.00 0.00 -0.255 N ATOM 18 H LIG 1 4.762 -3.540 -2.777 0.00 0.00 +0.158 HD ATOM 19 C LIG 1 5.784 -1.804 -3.030 0.00 0.00 +0.219 C ATOM 20 O LIG 1 6.203 -2.099 -4.145 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 6.141 -0.499 -2.354 0.00 0.00 +0.098 C ATOM 22 C LIG 1 5.052 -0.064 -1.384 0.00 0.00 +0.041 C ENDBRANCH 6 14 ENDBRANCH 1 3 BRANCH 1 24 ATOM 23 C LIG 1 -2.413 1.210 -0.120 0.00 0.00 +0.006 A ATOM 24 C LIG 1 -1.461 1.323 0.929 0.00 0.00 +0.040 A ATOM 25 C LIG 1 -1.712 2.208 1.994 0.00 0.00 +0.035 A ATOM 26 C LIG 1 -2.890 2.976 2.014 0.00 0.00 +0.021 A ATOM 27 C LIG 1 -3.457 3.942 2.874 0.00 0.00 +0.143 A ATOM 28 N LIG 1 -4.635 4.394 2.437 0.00 0.00 -0.179 NA ATOM 29 N LIG 1 -4.825 3.715 1.287 0.00 0.00 -0.267 N ATOM 30 C LIG 1 -6.019 3.952 0.511 0.00 0.00 +0.173 C ATOM 31 C LIG 1 -3.804 2.850 0.976 0.00 0.00 +0.069 A ATOM 32 C LIG 1 -3.595 1.982 -0.102 0.00 0.00 +0.038 A BRANCH 23 37 ATOM 33 C LIG 1 -2.959 -3.225 -2.527 0.00 0.00 +0.066 C ATOM 34 C LIG 1 -2.466 -1.811 -2.412 0.00 0.00 +0.042 A ATOM 35 C LIG 1 -2.678 -1.041 -1.256 0.00 0.00 -0.022 A ATOM 36 C LIG 1 -3.444 -1.594 -0.084 0.00 0.00 +0.046 C ATOM 37 C LIG 1 -2.207 0.291 -1.258 0.00 0.00 -0.010 A ATOM 38 C LIG 1 -1.518 0.763 -2.382 0.00 0.00 +0.028 A ATOM 39 C LIG 1 -1.337 -0.083 -3.458 0.00 0.00 +0.111 A ATOM 40 N LIG 1 -1.800 -1.345 -3.498 0.00 0.00 -0.260 NA ENDBRANCH 23 37 ENDBRANCH 1 24 TORSDOF 4