REMARK Name = BDB046473 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.217 1.797 -2.193 0.00 0.00 -0.279 N ATOM 2 C LIG 1 -2.878 0.681 -2.654 0.00 0.00 +0.347 A ATOM 3 O LIG 1 -3.840 0.650 -3.406 0.00 0.00 -0.245 OA ATOM 4 N LIG 1 -2.221 -0.399 -2.071 0.00 0.00 -0.209 N ATOM 5 N LIG 1 -1.211 0.042 -1.250 0.00 0.00 -0.153 NA ATOM 6 C LIG 1 -1.258 1.339 -1.366 0.00 0.00 +0.134 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 -2.619 3.154 -2.518 0.00 0.00 +0.128 C BRANCH 7 9 ATOM 8 C LIG 1 -3.746 3.693 -0.294 0.00 0.00 +0.005 C ATOM 9 C LIG 1 -3.903 3.587 -1.804 0.00 0.00 +0.018 C ENDBRANCH 7 9 ENDBRANCH 1 7 BRANCH 4 10 ATOM 10 C LIG 1 -2.643 -1.776 -2.138 0.00 0.00 +0.184 C BRANCH 10 11 ATOM 11 C LIG 1 -3.623 -2.122 -1.043 0.00 0.00 -0.026 A ATOM 12 C LIG 1 -3.165 -2.524 0.219 0.00 0.00 +0.006 A ATOM 13 C LIG 1 -4.070 -2.827 1.239 0.00 0.00 +0.004 A ATOM 14 C LIG 1 -5.448 -2.735 1.016 0.00 0.00 -0.050 A ATOM 15 C LIG 1 -6.418 -3.025 2.122 0.00 0.00 +0.044 C ATOM 16 C LIG 1 -5.907 -2.305 -0.235 0.00 0.00 +0.004 A ATOM 17 C LIG 1 -5.002 -2.002 -1.255 0.00 0.00 +0.006 A ENDBRANCH 10 11 ENDBRANCH 4 10 BRANCH 6 18 ATOM 18 C LIG 1 -0.286 2.241 -0.659 0.00 0.00 +0.077 C BRANCH 18 19 ATOM 19 C LIG 1 0.868 2.661 -1.573 0.00 0.00 +0.012 C BRANCH 19 20 ATOM 20 C LIG 1 1.823 1.522 -1.956 0.00 0.00 +0.035 C BRANCH 20 21 ATOM 21 C LIG 1 2.613 0.976 -0.792 0.00 0.00 -0.047 A ATOM 22 C LIG 1 3.688 1.701 -0.258 0.00 0.00 +0.007 A ATOM 23 C LIG 1 4.410 1.201 0.827 0.00 0.00 +0.046 A ATOM 24 C LIG 1 4.080 -0.038 1.367 0.00 0.00 +0.122 A ATOM 25 C LIG 1 2.988 -0.748 0.876 0.00 0.00 +0.046 A ATOM 26 C LIG 1 2.266 -0.251 -0.210 0.00 0.00 +0.007 A BRANCH 24 27 ATOM 27 O LIG 1 4.744 -0.509 2.463 0.00 0.00 -0.475 OA BRANCH 27 28 ATOM 28 C LIG 1 5.922 -1.305 2.204 0.00 0.00 +0.200 C ATOM 29 C LIG 1 7.097 -0.431 1.747 0.00 0.00 +0.067 C ATOM 30 C LIG 1 5.706 -2.472 1.230 0.00 0.00 +0.067 C BRANCH 28 31 ATOM 31 C LIG 1 6.274 -1.912 3.572 0.00 0.00 +0.348 C ATOM 32 O LIG 1 7.342 -1.830 4.161 0.00 0.00 -0.247 OA BRANCH 31 33 ATOM 33 O LIG 1 5.263 -2.616 4.131 0.00 0.00 -0.478 OA ATOM 34 H LIG 1 5.622 -2.898 4.998 0.00 0.00 +0.295 HD ENDBRANCH 31 33 ENDBRANCH 28 31 ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 6 18 TORSDOF 12