REMARK Name = BDB057526 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 1.625 -0.335 -0.434 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 2.223 0.469 0.742 0.00 0.00 +0.326 C ATOM 3 O LIG 1 3.339 0.301 1.217 0.00 0.00 -0.249 OA BRANCH 2 4 ATOM 4 OXT LIG 1 1.387 1.415 1.242 0.00 0.00 -0.479 OA ATOM 5 HXT LIG 1 0.494 1.422 0.841 0.00 0.00 +0.295 HD ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 6 ATOM 6 N LIG 1 2.673 -0.891 -1.327 0.00 0.00 -0.331 N ATOM 7 H LIG 1 3.268 -1.566 -0.820 0.00 0.00 +0.147 HD BRANCH 6 8 ATOM 8 C LIG 1 3.515 0.054 -1.960 0.00 0.00 +0.039 A ATOM 9 C LIG 1 4.913 0.075 -1.744 0.00 0.00 +0.043 A ATOM 10 C LIG 1 5.716 1.022 -2.401 0.00 0.00 +0.013 A ATOM 11 C LIG 1 5.140 1.962 -3.255 0.00 0.00 +0.001 A ATOM 12 C LIG 1 3.765 1.954 -3.468 0.00 0.00 +0.002 A ATOM 13 C LIG 1 2.962 1.006 -2.830 0.00 0.00 +0.023 A BRANCH 9 14 ATOM 14 C LIG 1 5.551 -0.921 -0.834 0.00 0.00 +0.195 C ATOM 15 O LIG 1 5.108 -2.067 -0.772 0.00 0.00 -0.287 OA BRANCH 14 16 ATOM 16 C LIG 1 6.718 -0.558 0.006 0.00 0.00 +0.022 A ATOM 17 C LIG 1 7.758 -1.483 0.145 0.00 0.00 +0.012 A ATOM 18 C LIG 1 8.868 -1.169 0.930 0.00 0.00 +0.001 A ATOM 19 C LIG 1 8.931 0.060 1.587 0.00 0.00 +0.000 A ATOM 20 C LIG 1 7.882 0.974 1.469 0.00 0.00 +0.001 A ATOM 21 C LIG 1 6.771 0.665 0.683 0.00 0.00 +0.012 A ENDBRANCH 14 16 ENDBRANCH 9 14 ENDBRANCH 6 8 ENDBRANCH 1 6 BRANCH 1 22 ATOM 22 C LIG 1 0.791 -1.505 0.119 0.00 0.00 +0.068 C BRANCH 22 26 ATOM 23 C LIG 1 -3.039 -0.162 1.620 0.00 0.00 +0.121 A ATOM 24 C LIG 1 -2.838 -0.326 0.251 0.00 0.00 +0.046 A ATOM 25 C LIG 1 -1.602 -0.771 -0.231 0.00 0.00 +0.007 A ATOM 26 C LIG 1 -0.553 -1.062 0.650 0.00 0.00 -0.045 A ATOM 27 C LIG 1 -0.764 -0.912 2.025 0.00 0.00 +0.007 A ATOM 28 C LIG 1 -1.998 -0.466 2.501 0.00 0.00 +0.046 A BRANCH 23 29 ATOM 29 O LIG 1 -4.193 0.252 2.224 0.00 0.00 -0.487 OA BRANCH 29 30 ATOM 30 C LIG 1 -5.229 0.810 1.404 0.00 0.00 +0.264 C BRANCH 30 32 ATOM 31 C LIG 1 -6.868 0.022 -0.409 0.00 0.00 -0.041 A ATOM 32 C LIG 1 -6.151 -0.225 0.784 0.00 0.00 -0.007 A ATOM 33 C LIG 1 -6.351 -1.450 1.451 0.00 0.00 +0.007 A ATOM 34 C LIG 1 -7.212 -2.421 0.942 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -7.905 -2.181 -0.236 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -7.739 -0.968 -0.903 0.00 0.00 +0.004 A BRANCH 31 38 ATOM 37 C LIG 1 -7.639 2.415 -0.576 0.00 0.00 +0.009 C ATOM 38 C LIG 1 -6.770 1.321 -1.179 0.00 0.00 +0.032 C ENDBRANCH 31 38 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 23 29 ENDBRANCH 22 26 ENDBRANCH 1 22 TORSDOF 12