REMARK Name = BDB057517 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -1.902 -0.815 -0.538 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.146 -2.184 -1.180 0.00 0.00 +0.326 C ATOM 3 O LIG 1 -2.522 -3.202 -0.619 0.00 0.00 -0.249 OA BRANCH 2 4 ATOM 4 OXT LIG 1 -1.917 -2.194 -2.512 0.00 0.00 -0.479 OA ATOM 5 HXT LIG 1 -2.141 -3.112 -2.773 0.00 0.00 +0.295 HD ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 6 ATOM 6 N LIG 1 -3.171 -0.219 -0.058 0.00 0.00 -0.331 N ATOM 7 H LIG 1 -3.597 -0.814 0.672 0.00 0.00 +0.147 HD BRANCH 6 8 ATOM 8 C LIG 1 -4.178 0.168 -0.962 0.00 0.00 +0.039 A ATOM 9 C LIG 1 -5.516 0.309 -0.519 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -6.532 0.732 -1.392 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -6.223 1.084 -2.702 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -4.904 1.016 -3.138 0.00 0.00 +0.002 A ATOM 13 C LIG 1 -3.894 0.575 -2.274 0.00 0.00 +0.023 A BRANCH 9 14 ATOM 14 C LIG 1 -5.876 -0.045 0.881 0.00 0.00 +0.195 C ATOM 15 O LIG 1 -5.405 -1.063 1.384 0.00 0.00 -0.287 OA BRANCH 14 16 ATOM 16 C LIG 1 -6.785 0.815 1.683 0.00 0.00 +0.022 A ATOM 17 C LIG 1 -7.583 0.211 2.662 0.00 0.00 +0.012 A ATOM 18 C LIG 1 -8.444 0.987 3.439 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -8.500 2.368 3.250 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -7.692 2.976 2.289 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -6.829 2.203 1.508 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 -0.954 -0.983 0.666 0.00 0.00 +0.068 C BRANCH 22 26 ATOM 23 C LIG 1 3.066 -2.044 -0.532 0.00 0.00 +0.121 A ATOM 24 C LIG 1 2.647 -0.715 -0.574 0.00 0.00 +0.046 A ATOM 25 C LIG 1 1.349 -0.373 -0.182 0.00 0.00 +0.007 A ATOM 26 C LIG 1 0.455 -1.354 0.264 0.00 0.00 -0.045 A ATOM 27 C LIG 1 0.883 -2.685 0.316 0.00 0.00 +0.007 A ATOM 28 C LIG 1 2.180 -3.022 -0.075 0.00 0.00 +0.046 A BRANCH 23 29 ATOM 29 O LIG 1 4.305 -2.510 -0.874 0.00 0.00 -0.487 OA BRANCH 29 30 ATOM 30 C LIG 1 5.161 -1.656 -1.639 0.00 0.00 +0.264 C BRANCH 30 34 ATOM 31 C LIG 1 7.642 1.002 0.721 0.00 0.00 -0.048 A ATOM 32 C LIG 1 7.274 1.337 -0.587 0.00 0.00 +0.004 A ATOM 33 C LIG 1 6.468 0.479 -1.339 0.00 0.00 +0.007 A ATOM 34 C LIG 1 6.008 -0.729 -0.796 0.00 0.00 -0.010 A ATOM 35 C LIG 1 6.397 -1.072 0.505 0.00 0.00 +0.007 A ATOM 36 C LIG 1 7.203 -0.214 1.258 0.00 0.00 +0.004 A BRANCH 31 38 ATOM 37 C LIG 1 9.999 1.608 1.324 0.00 0.00 +0.009 C ATOM 38 C LIG 1 8.525 1.919 1.528 0.00 0.00 +0.032 C ENDBRANCH 31 38 ENDBRANCH 30 34 ENDBRANCH 29 30 ENDBRANCH 23 29 ENDBRANCH 22 26 ENDBRANCH 1 22 TORSDOF 12