REMARK Name = BDB037377 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.406 -2.630 -0.422 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -1.167 -1.739 0.356 0.00 0.00 +0.135 A ATOM 3 C LIG 1 -0.645 -0.966 1.376 0.00 0.00 +0.027 A ATOM 4 C LIG 1 -1.518 0.148 1.433 0.00 0.00 +0.086 A ATOM 5 N LIG 1 -2.640 -0.081 0.724 0.00 0.00 -0.168 NA ATOM 6 C LIG 1 0.692 -1.339 1.920 0.00 0.00 +0.083 C ATOM 7 C LIG 1 1.632 -1.558 0.725 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -2.502 -1.358 0.269 0.00 0.00 -0.218 N ATOM 9 C LIG 1 1.007 -2.604 -0.252 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.748 -3.299 -0.956 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 1.063 -0.445 3.085 0.00 0.00 -0.037 A ATOM 12 C LIG 1 2.168 0.421 3.067 0.00 0.00 +0.007 A ATOM 13 C LIG 1 2.482 1.210 4.178 0.00 0.00 +0.038 A ATOM 14 C LIG 1 1.704 1.130 5.323 0.00 0.00 +0.123 A ATOM 15 F LIG 1 2.006 1.888 6.385 0.00 0.00 -0.205 F ATOM 16 C LIG 1 0.621 0.266 5.386 0.00 0.00 +0.038 A ATOM 17 C LIG 1 0.307 -0.523 4.277 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -3.660 -2.090 -0.096 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -4.807 -1.405 -0.524 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -5.959 -2.116 -0.863 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -5.980 -3.506 -0.754 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -4.855 -4.187 -0.291 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -3.699 -3.481 0.047 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 1.952 -0.352 -0.054 0.00 0.00 -0.299 N ATOM 25 H LIG 1 1.202 0.280 -0.327 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 3.239 -0.117 -0.493 0.00 0.00 +0.245 C ATOM 27 O LIG 1 4.203 -0.769 -0.107 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 3.448 1.021 -1.427 0.00 0.00 +0.037 A ATOM 29 C LIG 1 4.702 1.650 -1.432 0.00 0.00 +0.025 A ATOM 30 C LIG 1 4.965 2.728 -2.294 0.00 0.00 +0.056 A ATOM 31 C LIG 1 3.956 3.151 -3.170 0.00 0.00 +0.012 A ATOM 32 C LIG 1 2.714 2.515 -3.183 0.00 0.00 +0.001 A ATOM 33 C LIG 1 2.459 1.450 -2.317 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 6.319 3.389 -2.290 0.00 0.00 +0.417 C ATOM 35 F LIG 1 6.820 3.562 -1.034 0.00 0.00 -0.166 F ATOM 36 F LIG 1 6.319 4.627 -2.860 0.00 0.00 -0.166 F ATOM 37 F LIG 1 7.253 2.667 -2.969 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 1 39 ATOM 38 C LIG 1 -0.831 -4.843 -1.504 0.00 0.00 +0.025 C ATOM 39 C LIG 1 -0.883 -3.325 -1.622 0.00 0.00 +0.112 C ENDBRANCH 1 39 BRANCH 4 40 ATOM 40 C LIG 1 -1.293 1.509 2.030 0.00 0.00 +0.162 C BRANCH 40 41 ATOM 41 N LIG 1 -1.763 2.507 1.081 0.00 0.00 -0.309 N ATOM 42 H LIG 1 -2.771 2.557 1.018 0.00 0.00 +0.149 HD ATOM 43 C LIG 1 -1.050 2.703 -0.095 0.00 0.00 +0.230 C ATOM 44 O LIG 1 0.058 2.205 -0.282 0.00 0.00 -0.274 OA BRANCH 43 45 ATOM 45 C LIG 1 -1.793 3.539 -1.126 0.00 0.00 +0.174 C ATOM 46 C LIG 1 -2.873 2.695 -1.800 0.00 0.00 +0.033 C BRANCH 45 47 ATOM 47 C LIG 1 -0.871 4.085 -2.131 0.00 0.00 +0.075 C ATOM 48 N LIG 1 -0.195 4.544 -2.957 0.00 0.00 -0.196 NA ENDBRANCH 45 47 ENDBRANCH 43 45 ENDBRANCH 40 41 ENDBRANCH 4 40 TORSDOF 10