REMARK Name = BDB057570 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.715 1.022 0.377 0.00 0.00 +0.068 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 3.384 1.993 -0.607 0.00 0.00 +0.121 A ATOM 3 C LIG 1 3.069 1.410 0.622 0.00 0.00 +0.046 A ATOM 4 C LIG 1 1.747 1.102 0.949 0.00 0.00 +0.007 A ATOM 5 C LIG 1 0.716 1.377 0.044 0.00 0.00 -0.045 A ATOM 6 C LIG 1 1.034 1.964 -1.187 0.00 0.00 +0.007 A ATOM 7 C LIG 1 2.360 2.273 -1.510 0.00 0.00 +0.046 A BRANCH 2 8 ATOM 8 O LIG 1 4.713 2.244 -0.794 0.00 0.00 -0.490 OA BRANCH 8 9 ATOM 9 C LIG 1 5.120 2.700 -2.085 0.00 0.00 +0.248 C BRANCH 9 10 ATOM 10 C LIG 1 6.653 2.816 -2.137 0.00 0.00 +0.150 C BRANCH 10 12 ATOM 11 C LIG 1 7.254 0.809 -3.505 0.00 0.00 +0.134 C ATOM 12 N LIG 1 7.331 1.517 -2.238 0.00 0.00 -0.285 N BRANCH 12 13 ATOM 13 C LIG 1 7.478 0.754 -1.127 0.00 0.00 +0.291 A ATOM 14 O LIG 1 7.431 1.387 0.089 0.00 0.00 -0.424 OA ATOM 15 C LIG 1 7.607 0.387 0.995 0.00 0.00 +0.157 A ATOM 16 C LIG 1 7.769 -0.793 0.292 0.00 0.00 +0.111 A ATOM 17 C LIG 1 7.972 -1.983 1.004 0.00 0.00 +0.031 A ATOM 18 C LIG 1 8.001 -1.919 2.406 0.00 0.00 +0.002 A ATOM 19 C LIG 1 7.831 -0.701 3.079 0.00 0.00 +0.004 A ATOM 20 C LIG 1 7.627 0.496 2.380 0.00 0.00 +0.048 A ATOM 21 N LIG 1 7.695 -0.546 -1.054 0.00 0.00 -0.195 NA ENDBRANCH 12 13 ENDBRANCH 10 12 ENDBRANCH 9 10 ENDBRANCH 8 9 ENDBRANCH 2 8 ENDBRANCH 1 5 BRANCH 1 22 ATOM 22 CA LIG 1 -1.162 -0.322 -0.233 0.00 0.00 +0.184 C BRANCH 22 23 ATOM 23 C LIG 1 -0.444 -1.464 0.492 0.00 0.00 +0.326 C ATOM 24 O LIG 1 -0.397 -1.655 1.698 0.00 0.00 -0.249 OA BRANCH 23 25 ATOM 25 OXT LIG 1 0.172 -2.322 -0.351 0.00 0.00 -0.479 OA ATOM 26 HXT LIG 1 0.565 -2.991 0.249 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 22 23 BRANCH 22 27 ATOM 27 N LIG 1 -2.632 -0.437 -0.088 0.00 0.00 -0.331 N ATOM 28 H LIG 1 -2.908 -0.359 0.905 0.00 0.00 +0.147 HD BRANCH 27 29 ATOM 29 C LIG 1 -3.341 -1.505 -0.668 0.00 0.00 +0.038 A ATOM 30 C LIG 1 -4.630 -1.852 -0.188 0.00 0.00 +0.038 A ATOM 31 C LIG 1 -5.375 -2.876 -0.794 0.00 0.00 +0.013 A ATOM 32 C LIG 1 -4.876 -3.537 -1.913 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -3.640 -3.173 -2.433 0.00 0.00 +0.002 A ATOM 34 C LIG 1 -2.890 -2.161 -1.824 0.00 0.00 +0.023 A BRANCH 30 35 ATOM 35 C LIG 1 -5.197 -1.136 0.998 0.00 0.00 +0.168 C ATOM 36 O LIG 1 -4.434 -0.841 1.919 0.00 0.00 -0.292 OA BRANCH 35 37 ATOM 37 C LIG 1 -6.691 -0.793 1.018 0.00 0.00 +0.060 C ATOM 38 C LIG 1 -7.103 -0.140 2.355 0.00 0.00 +0.011 C ATOM 39 C LIG 1 -8.361 0.728 2.259 0.00 0.00 +0.001 C ATOM 40 C LIG 1 -9.279 0.283 1.131 0.00 0.00 +0.000 C ATOM 41 C LIG 1 -8.581 0.356 -0.226 0.00 0.00 +0.001 C ATOM 42 C LIG 1 -7.070 0.121 -0.152 0.00 0.00 +0.011 C ENDBRANCH 35 37 ENDBRANCH 30 35 ENDBRANCH 27 29 ENDBRANCH 22 27 ENDBRANCH 1 22 TORSDOF 13