REMARK Name = BDB005072 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.370 -2.837 -1.343 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -0.211 -1.748 -2.209 0.00 0.00 +0.028 A ATOM 3 C LIG 1 0.397 -1.898 -3.469 0.00 0.00 -0.029 A ATOM 4 C LIG 1 0.854 -3.163 -3.853 0.00 0.00 +0.005 A ATOM 5 C LIG 1 0.691 -4.254 -3.001 0.00 0.00 +0.002 A ATOM 6 C LIG 1 0.081 -4.092 -1.754 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -1.214 -3.478 0.929 0.00 0.00 +0.220 C ATOM 8 N LIG 1 -0.965 -2.579 -0.092 0.00 0.00 -0.285 N ATOM 9 H LIG 1 -1.231 -1.617 0.070 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -0.989 -4.684 0.899 0.00 0.00 -0.275 OA BRANCH 7 14 ATOM 11 N LIG 1 -2.787 -0.250 3.258 0.00 0.00 -0.300 NA ATOM 12 C LIG 1 -1.454 -0.376 2.670 0.00 0.00 +0.085 C ATOM 13 C LIG 1 -0.907 -1.797 2.812 0.00 0.00 +0.028 C ATOM 14 C LIG 1 -1.831 -2.849 2.179 0.00 0.00 +0.078 C ATOM 15 C LIG 1 -3.232 -2.303 1.890 0.00 0.00 +0.028 C ATOM 16 C LIG 1 -3.700 -1.365 3.001 0.00 0.00 +0.085 C BRANCH 11 18 ATOM 17 C LIG 1 -3.868 1.456 1.742 0.00 0.00 +0.024 C ATOM 18 C LIG 1 -3.355 1.104 3.145 0.00 0.00 +0.050 C ATOM 19 C LIG 1 -4.453 1.332 4.191 0.00 0.00 +0.024 C ENDBRANCH 11 18 ENDBRANCH 7 14 ENDBRANCH 1 8 BRANCH 3 20 ATOM 20 C LIG 1 0.603 -0.695 -4.356 0.00 0.00 +0.138 C BRANCH 20 21 ATOM 21 N LIG 1 1.780 0.026 -3.919 0.00 0.00 -0.325 N ATOM 22 H LIG 1 2.624 -0.535 -3.935 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 1.740 1.055 -3.007 0.00 0.00 +0.126 C ATOM 24 C LIG 1 2.943 1.408 -2.214 0.00 0.00 +0.018 C ATOM 25 C LIG 1 2.983 2.878 -1.930 0.00 0.00 +0.175 C ATOM 26 C LIG 1 4.123 3.254 -1.010 0.00 0.00 +0.039 C ATOM 27 C LIG 1 5.013 2.351 -0.544 0.00 0.00 -0.012 C ATOM 28 C LIG 1 4.959 0.883 -0.857 0.00 0.00 +0.055 C ATOM 29 N LIG 1 1.696 3.299 -1.362 0.00 0.00 -0.259 NA ATOM 30 C LIG 1 0.657 2.727 -1.866 0.00 0.00 +0.218 C ATOM 31 C LIG 1 3.815 0.499 -1.750 0.00 0.00 -0.013 C ATOM 32 N LIG 1 0.654 1.751 -2.825 0.00 0.00 -0.221 NA BRANCH 26 33 ATOM 33 C LIG 1 4.366 4.681 -0.656 0.00 0.00 +0.240 C ATOM 34 O LIG 1 5.439 5.097 -0.233 0.00 0.00 -0.271 OA ATOM 35 N LIG 1 3.311 5.520 -0.826 0.00 0.00 -0.326 N ATOM 36 H LIG 1 2.378 5.132 -0.940 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 3.405 6.458 -0.465 0.00 0.00 +0.145 HD ENDBRANCH 26 33 ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 3 20 TORSDOF 7