REMARK Name = BDB006418 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.742 -0.910 3.453 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -1.317 -1.327 2.144 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.681 -1.238 0.867 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -1.569 -1.740 -0.087 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -1.236 -1.800 -1.452 0.00 0.00 +0.027 A ATOM 6 C LIG 1 0.022 -1.336 -1.849 0.00 0.00 +0.015 A ATOM 7 C LIG 1 0.922 -0.815 -0.919 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -2.719 -2.116 0.589 0.00 0.00 -0.339 N ATOM 9 C LIG 1 0.586 -0.776 0.442 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -2.573 -1.880 1.943 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -3.640 -2.183 2.940 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 2.242 -0.333 -1.409 0.00 0.00 +0.245 C ATOM 13 N LIG 1 2.796 0.718 -0.715 0.00 0.00 -0.304 N ATOM 14 H LIG 1 2.286 1.158 0.035 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 2.752 -0.843 -2.400 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 4.113 1.242 -1.023 0.00 0.00 +0.107 C BRANCH 16 17 ATOM 17 C LIG 1 5.186 0.636 -0.131 0.00 0.00 -0.027 A ATOM 18 C LIG 1 6.459 0.372 -0.671 0.00 0.00 +0.009 A ATOM 19 C LIG 1 7.494 -0.170 0.109 0.00 0.00 -0.044 A ATOM 20 C LIG 1 7.238 -0.452 1.457 0.00 0.00 +0.004 A ATOM 21 C LIG 1 5.983 -0.200 2.009 0.00 0.00 +0.001 A ATOM 22 C LIG 1 4.966 0.341 1.223 0.00 0.00 +0.005 A BRANCH 19 23 ATOM 23 C LIG 1 8.866 -0.456 -0.475 0.00 0.00 +0.013 C ATOM 24 C LIG 1 9.544 0.825 -0.969 0.00 0.00 +0.012 C ATOM 25 C LIG 1 8.796 -1.501 -1.591 0.00 0.00 +0.012 C ENDBRANCH 19 23 ENDBRANCH 16 17 BRANCH 16 26 ATOM 26 C LIG 1 4.031 2.752 -0.979 0.00 0.00 +0.014 C ATOM 27 C LIG 1 3.867 3.539 0.302 0.00 0.00 +0.006 C ATOM 28 C LIG 1 5.139 3.660 -0.492 0.00 0.00 +0.006 C ENDBRANCH 16 26 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 29 ATOM 29 C LIG 1 -3.889 -2.731 -0.042 0.00 0.00 +0.157 C BRANCH 29 30 ATOM 30 C LIG 1 -5.058 -1.784 -0.172 0.00 0.00 -0.028 A ATOM 31 C LIG 1 -6.330 -2.179 0.263 0.00 0.00 +0.006 A ATOM 32 C LIG 1 -7.430 -1.325 0.127 0.00 0.00 +0.009 A ATOM 33 C LIG 1 -7.296 -0.057 -0.457 0.00 0.00 -0.018 A ATOM 34 C LIG 1 -6.022 0.328 -0.903 0.00 0.00 +0.009 A ATOM 35 C LIG 1 -4.920 -0.523 -0.768 0.00 0.00 +0.006 A BRANCH 33 36 ATOM 36 C LIG 1 -8.454 0.841 -0.600 0.00 0.00 -0.018 A ATOM 37 C LIG 1 -9.252 1.174 0.507 0.00 0.00 +0.008 A ATOM 38 C LIG 1 -10.352 2.026 0.373 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -10.673 2.559 -0.873 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -9.896 2.241 -1.983 0.00 0.00 +0.001 A ATOM 41 C LIG 1 -8.796 1.390 -1.847 0.00 0.00 +0.008 A ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 8 29 TORSDOF 8