REMARK Name = BDB027409 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.579 -2.055 -0.304 0.00 0.00 +0.073 A ATOM 2 N LIG 1 -1.531 -2.863 -0.027 0.00 0.00 -0.253 NA ATOM 3 C LIG 1 -0.301 -2.446 -0.403 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -0.019 -1.242 -1.058 0.00 0.00 +0.053 A ATOM 5 C LIG 1 -1.107 -0.392 -1.313 0.00 0.00 -0.003 A ATOM 6 C LIG 1 -2.396 -0.824 -0.938 0.00 0.00 +0.035 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -7.783 -3.956 1.255 0.00 0.00 +0.065 C ATOM 8 C LIG 1 -6.416 -3.478 0.869 0.00 0.00 +0.038 A ATOM 9 N LIG 1 -6.316 -2.699 -0.230 0.00 0.00 -0.260 NA ATOM 10 C LIG 1 -5.074 -2.271 -0.577 0.00 0.00 +0.121 A ATOM 11 C LIG 1 -3.898 -2.559 0.114 0.00 0.00 +0.018 A ATOM 12 C LIG 1 -4.050 -3.378 1.241 0.00 0.00 +0.013 A ATOM 13 C LIG 1 -5.309 -3.841 1.626 0.00 0.00 +0.024 A ENDBRANCH 1 11 BRANCH 4 14 ATOM 14 N LIG 1 1.282 -0.865 -1.427 0.00 0.00 -0.326 N ATOM 15 C LIG 1 2.078 -0.432 -0.238 0.00 0.00 +0.133 C ATOM 16 C LIG 1 3.432 0.171 -0.738 0.00 0.00 +0.075 C ATOM 17 C LIG 1 4.233 -0.959 -1.442 0.00 0.00 +0.031 C ATOM 18 C LIG 1 3.376 -2.167 -1.849 0.00 0.00 +0.021 C ATOM 19 C LIG 1 1.976 -1.799 -2.341 0.00 0.00 +0.105 C BRANCH 16 20 ATOM 20 C LIG 1 4.250 0.755 0.418 0.00 0.00 +0.064 A ATOM 21 N LIG 1 3.924 0.383 1.681 0.00 0.00 -0.238 NA ATOM 22 C LIG 1 4.660 0.896 2.689 0.00 0.00 +0.130 A ATOM 23 CL LIG 1 4.177 0.382 4.252 0.00 0.00 -0.062 Cl ATOM 24 C LIG 1 5.722 1.765 2.524 0.00 0.00 +0.040 A ATOM 25 C LIG 1 6.057 2.133 1.228 0.00 0.00 +0.005 A ATOM 26 C LIG 1 5.319 1.622 0.163 0.00 0.00 +0.025 A ENDBRANCH 16 20 BRANCH 16 27 ATOM 27 N LIG 1 3.123 1.224 -1.758 0.00 0.00 -0.319 NA ATOM 28 H LIG 1 2.473 0.784 -2.417 0.00 0.00 +0.119 HD ATOM 29 H LIG 1 2.506 1.904 -1.293 0.00 0.00 +0.119 HD ENDBRANCH 16 27 ENDBRANCH 4 14 BRANCH 5 30 ATOM 30 C LIG 1 -0.931 0.936 -2.017 0.00 0.00 +0.161 C BRANCH 30 31 ATOM 31 N LIG 1 -1.295 2.074 -1.186 0.00 0.00 -0.310 N ATOM 32 C LIG 1 -0.452 2.854 -0.439 0.00 0.00 +0.166 A ATOM 33 C LIG 1 -1.272 3.821 0.123 0.00 0.00 +0.147 A ATOM 34 C LIG 1 -0.661 4.755 0.977 0.00 0.00 +0.147 A ATOM 35 N LIG 1 0.665 4.646 1.212 0.00 0.00 -0.219 NA ATOM 36 C LIG 1 1.345 3.664 0.584 0.00 0.00 +0.225 A ATOM 37 N LIG 1 -2.579 3.662 -0.290 0.00 0.00 -0.231 NA ATOM 38 N LIG 1 0.877 2.730 -0.273 0.00 0.00 -0.216 NA ATOM 39 C LIG 1 -2.548 2.627 -1.100 0.00 0.00 +0.202 A BRANCH 34 40 ATOM 40 N LIG 1 -1.358 5.778 1.609 0.00 0.00 -0.341 N ATOM 41 H LIG 1 -0.884 6.099 2.442 0.00 0.00 +0.144 HD ATOM 42 H LIG 1 -2.355 5.600 1.673 0.00 0.00 +0.144 HD ENDBRANCH 34 40 ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 7