REMARK Name = BDB051074 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.279 0.165 0.167 0.00 0.00 +0.121 A ATOM 2 C LIG 1 0.487 0.357 -0.967 0.00 0.00 +0.046 A ATOM 3 C LIG 1 -0.818 0.843 -0.857 0.00 0.00 +0.007 A ATOM 4 C LIG 1 -1.358 1.140 0.397 0.00 0.00 -0.046 A ATOM 5 C LIG 1 -0.555 0.959 1.532 0.00 0.00 +0.007 A ATOM 6 C LIG 1 0.752 0.471 1.418 0.00 0.00 +0.046 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 2.530 -0.314 -0.097 0.00 0.00 -0.490 OA BRANCH 7 8 ATOM 8 C LIG 1 3.442 -0.524 0.988 0.00 0.00 +0.248 C BRANCH 8 9 ATOM 9 C LIG 1 4.171 0.767 1.396 0.00 0.00 +0.150 C BRANCH 9 11 ATOM 10 C LIG 1 4.638 1.876 -0.793 0.00 0.00 +0.134 C ATOM 11 N LIG 1 5.149 1.215 0.399 0.00 0.00 -0.285 N BRANCH 11 12 ATOM 12 C LIG 1 6.332 0.567 0.274 0.00 0.00 +0.291 A ATOM 13 O LIG 1 6.709 -0.261 1.302 0.00 0.00 -0.424 OA ATOM 14 C LIG 1 7.914 -0.758 0.907 0.00 0.00 +0.157 A ATOM 15 C LIG 1 8.207 -0.214 -0.331 0.00 0.00 +0.111 A ATOM 16 C LIG 1 9.406 -0.572 -0.961 0.00 0.00 +0.031 A ATOM 17 C LIG 1 10.258 -1.471 -0.301 0.00 0.00 +0.002 A ATOM 18 C LIG 1 9.922 -1.999 0.953 0.00 0.00 +0.004 A ATOM 19 C LIG 1 8.727 -1.651 1.595 0.00 0.00 +0.048 A ATOM 20 N LIG 1 7.196 0.623 -0.720 0.00 0.00 -0.195 NA ENDBRANCH 11 12 ENDBRANCH 9 11 ENDBRANCH 8 9 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 21 ATOM 21 C LIG 1 -2.776 1.640 0.535 0.00 0.00 +0.049 C BRANCH 21 22 ATOM 22 C LIG 1 -3.854 0.557 0.717 0.00 0.00 +0.102 C BRANCH 22 23 ATOM 23 C LIG 1 -3.714 -0.132 2.064 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -4.329 0.228 3.059 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -2.829 -1.149 2.110 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -2.317 -1.281 1.289 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 22 23 BRANCH 22 27 ATOM 27 C LIG 1 -4.012 -0.446 -0.441 0.00 0.00 +0.015 C BRANCH 27 28 ATOM 28 C LIG 1 -4.529 0.155 -1.758 0.00 0.00 +0.005 C BRANCH 28 29 ATOM 29 C LIG 1 -5.941 0.754 -1.704 0.00 0.00 +0.035 C BRANCH 29 30 ATOM 30 C LIG 1 -7.010 -0.248 -1.344 0.00 0.00 -0.047 A ATOM 31 C LIG 1 -7.410 -1.222 -2.268 0.00 0.00 +0.003 A ATOM 32 C LIG 1 -8.387 -2.160 -1.931 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -8.972 -2.134 -0.667 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -8.583 -1.169 0.260 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -7.607 -0.229 -0.077 0.00 0.00 +0.003 A ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 22 27 ENDBRANCH 21 22 ENDBRANCH 4 21 TORSDOF 13