REMARK Name = BDB057523 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -3.106 -1.051 -1.581 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -3.182 -1.535 -0.169 0.00 0.00 -0.331 N ATOM 3 H LIG 1 -2.532 -2.328 -0.081 0.00 0.00 +0.147 HD BRANCH 2 5 ATOM 4 C LIG 1 -4.997 -1.463 1.482 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -4.450 -1.960 0.279 0.00 0.00 +0.039 A ATOM 6 C LIG 1 -5.153 -2.980 -0.380 0.00 0.00 +0.023 A ATOM 7 C LIG 1 -6.364 -3.468 0.124 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -6.891 -2.959 1.308 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -6.204 -1.960 1.994 0.00 0.00 +0.013 A BRANCH 4 11 ATOM 10 O LIG 1 -4.017 -0.637 3.434 0.00 0.00 -0.287 OA ATOM 11 C LIG 1 -4.329 -0.402 2.269 0.00 0.00 +0.195 C BRANCH 11 12 ATOM 12 C LIG 1 -4.102 0.949 1.691 0.00 0.00 +0.022 A ATOM 13 C LIG 1 -3.126 1.769 2.275 0.00 0.00 +0.012 A ATOM 14 C LIG 1 -2.896 3.052 1.776 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -3.650 3.529 0.703 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -4.638 2.726 0.130 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -4.870 1.439 0.624 0.00 0.00 +0.012 A ENDBRANCH 11 12 ENDBRANCH 4 11 ENDBRANCH 2 5 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 C LIG 1 -2.661 -2.139 -2.566 0.00 0.00 +0.326 C ATOM 19 O LIG 1 -2.683 -2.051 -3.786 0.00 0.00 -0.249 OA BRANCH 18 20 ATOM 20 OXT LIG 1 -2.178 -3.256 -1.971 0.00 0.00 -0.479 OA ATOM 21 HXT LIG 1 -1.864 -3.817 -2.715 0.00 0.00 +0.295 HD ENDBRANCH 18 20 ENDBRANCH 1 18 BRANCH 1 22 ATOM 22 C LIG 1 -2.133 0.144 -1.681 0.00 0.00 +0.068 C BRANCH 22 23 ATOM 23 C LIG 1 -0.669 -0.193 -1.493 0.00 0.00 -0.045 A ATOM 24 C LIG 1 -0.148 -0.441 -0.219 0.00 0.00 +0.007 A ATOM 25 C LIG 1 1.195 -0.790 -0.063 0.00 0.00 +0.046 A ATOM 26 C LIG 1 2.045 -0.883 -1.169 0.00 0.00 +0.121 A ATOM 27 C LIG 1 1.535 -0.621 -2.439 0.00 0.00 +0.046 A ATOM 28 C LIG 1 0.187 -0.281 -2.599 0.00 0.00 +0.007 A BRANCH 26 29 ATOM 29 O LIG 1 3.328 -1.239 -0.866 0.00 0.00 -0.490 OA BRANCH 29 30 ATOM 30 C LIG 1 4.318 -1.230 -1.901 0.00 0.00 +0.257 C BRANCH 30 31 ATOM 31 C LIG 1 4.872 0.177 -2.149 0.00 0.00 +0.201 C BRANCH 31 32 ATOM 32 O LIG 1 5.861 0.568 -1.186 0.00 0.00 -0.372 OA BRANCH 32 33 ATOM 33 C LIG 1 5.315 0.825 0.110 0.00 0.00 +0.195 C BRANCH 33 34 ATOM 34 C LIG 1 6.325 1.503 1.007 0.00 0.00 -0.022 A ATOM 35 C LIG 1 7.706 1.388 0.797 0.00 0.00 +0.006 A ATOM 36 C LIG 1 8.615 1.976 1.681 0.00 0.00 +0.000 A ATOM 37 C LIG 1 8.152 2.668 2.796 0.00 0.00 +0.000 A ATOM 38 C LIG 1 6.781 2.791 3.020 0.00 0.00 +0.000 A ATOM 39 C LIG 1 5.874 2.209 2.132 0.00 0.00 +0.006 A ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 14