REMARK Name = BDB057478 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -1.274 -0.846 0.268 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.906 -1.019 1.745 0.00 0.00 +0.326 C ATOM 3 O LIG 1 -0.758 -0.134 2.575 0.00 0.00 -0.249 OA BRANCH 2 4 ATOM 4 OXT LIG 1 -0.762 -2.313 2.108 0.00 0.00 -0.479 OA ATOM 5 HXT LIG 1 -0.571 -2.260 3.067 0.00 0.00 +0.295 HD ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 6 ATOM 6 N LIG 1 -2.662 -0.349 0.120 0.00 0.00 -0.331 N ATOM 7 H LIG 1 -2.763 0.579 0.563 0.00 0.00 +0.147 HD BRANCH 6 8 ATOM 8 C LIG 1 -3.760 -1.146 0.495 0.00 0.00 +0.039 A ATOM 9 C LIG 1 -5.011 -0.545 0.779 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -6.133 -1.321 1.115 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -6.046 -2.710 1.113 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -4.844 -3.321 0.772 0.00 0.00 +0.002 A ATOM 13 C LIG 1 -3.720 -2.547 0.456 0.00 0.00 +0.023 A BRANCH 9 14 ATOM 14 C LIG 1 -5.141 0.937 0.776 0.00 0.00 +0.195 C ATOM 15 O LIG 1 -4.257 1.619 1.292 0.00 0.00 -0.287 OA BRANCH 14 16 ATOM 16 C LIG 1 -6.312 1.606 0.153 0.00 0.00 +0.022 A ATOM 17 C LIG 1 -6.736 2.833 0.677 0.00 0.00 +0.012 A ATOM 18 C LIG 1 -7.828 3.495 0.114 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -8.491 2.939 -0.980 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -8.059 1.727 -1.518 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -6.967 1.061 -0.958 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 -0.318 0.179 -0.374 0.00 0.00 +0.068 C BRANCH 22 26 ATOM 23 C LIG 1 3.737 -1.299 -0.685 0.00 0.00 +0.121 A ATOM 24 C LIG 1 2.773 -1.669 -1.625 0.00 0.00 +0.046 A ATOM 25 C LIG 1 1.464 -1.192 -1.531 0.00 0.00 +0.007 A ATOM 26 C LIG 1 1.102 -0.326 -0.494 0.00 0.00 -0.045 A ATOM 27 C LIG 1 2.073 0.053 0.441 0.00 0.00 +0.007 A ATOM 28 C LIG 1 3.384 -0.427 0.344 0.00 0.00 +0.046 A BRANCH 23 29 ATOM 29 O LIG 1 4.978 -1.833 -0.901 0.00 0.00 -0.487 OA BRANCH 29 30 ATOM 30 C LIG 1 5.942 -1.750 0.152 0.00 0.00 +0.264 C BRANCH 30 34 ATOM 31 C LIG 1 8.040 2.126 -2.335 0.00 0.00 +0.044 C ATOM 32 C LIG 1 7.761 1.406 -1.049 0.00 0.00 -0.050 A ATOM 33 C LIG 1 7.000 0.229 -1.048 0.00 0.00 +0.010 A ATOM 34 C LIG 1 6.745 -0.467 0.143 0.00 0.00 -0.010 A ATOM 35 C LIG 1 7.299 0.014 1.338 0.00 0.00 +0.007 A ATOM 36 C LIG 1 8.070 1.176 1.344 0.00 0.00 +0.001 A ATOM 37 C LIG 1 8.303 1.867 0.155 0.00 0.00 +0.003 A ENDBRANCH 30 34 ENDBRANCH 29 30 ENDBRANCH 23 29 ENDBRANCH 22 26 ENDBRANCH 1 22 TORSDOF 11