REMARK Name = BDB011804 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.913 0.468 0.899 0.00 0.00 +0.177 C ATOM 2 C LIG 1 0.296 0.666 -0.009 0.00 0.00 +0.242 C ATOM 3 O LIG 1 0.503 1.750 -0.567 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 1.162 -0.420 -0.122 0.00 0.00 -0.264 N ATOM 5 C LIG 1 0.838 -1.748 0.340 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -0.460 -2.323 0.270 0.00 0.00 +0.058 A ATOM 7 C LIG 1 -0.640 -3.647 0.728 0.00 0.00 +0.025 A ATOM 8 C LIG 1 0.412 -4.404 1.236 0.00 0.00 +0.002 A ATOM 9 C LIG 1 1.679 -3.853 1.292 0.00 0.00 +0.002 A ATOM 10 N LIG 1 -1.606 -1.672 -0.301 0.00 0.00 -0.263 N ATOM 11 C LIG 1 -2.460 -2.399 -1.162 0.00 0.00 +0.252 C ATOM 12 O LIG 1 -2.232 -3.518 -1.619 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 1.885 -2.547 0.844 0.00 0.00 +0.025 A ATOM 14 C LIG 1 -1.935 -0.292 0.070 0.00 0.00 +0.145 C ENDROOT BRANCH 11 15 ATOM 15 C LIG 1 -3.710 -1.761 -1.607 0.00 0.00 +0.046 A ATOM 16 C LIG 1 -4.865 -1.814 -0.798 0.00 0.00 +0.012 A ATOM 17 C LIG 1 -6.019 -1.184 -1.269 0.00 0.00 +0.047 A ATOM 18 N LIG 1 -6.995 -1.359 -0.313 0.00 0.00 -0.361 N ATOM 19 H LIG 1 -7.936 -1.005 -0.390 0.00 0.00 +0.165 HD ATOM 20 C LIG 1 -6.504 -2.083 0.740 0.00 0.00 +0.083 A ATOM 21 C LIG 1 -6.069 -0.522 -2.508 0.00 0.00 +0.026 A ATOM 22 C LIG 1 -4.912 -0.511 -3.296 0.00 0.00 +0.003 A ATOM 23 C LIG 1 -5.189 -2.381 0.469 0.00 0.00 +0.028 A ATOM 24 C LIG 1 -3.744 -1.127 -2.860 0.00 0.00 +0.014 A ENDBRANCH 11 15 BRANCH 1 26 ATOM 25 C LIG 1 -2.145 2.661 0.767 0.00 0.00 +0.230 C ATOM 26 N LIG 1 -1.340 1.761 1.446 0.00 0.00 -0.301 N ATOM 27 H LIG 1 -0.640 2.258 1.998 0.00 0.00 +0.150 HD ATOM 28 O LIG 1 -2.904 2.355 -0.148 0.00 0.00 -0.274 OA BRANCH 25 29 ATOM 29 C LIG 1 -2.029 4.095 1.348 0.00 0.00 +0.137 C ATOM 30 C LIG 1 -2.488 5.119 0.312 0.00 0.00 +0.034 C BRANCH 29 32 ATOM 31 C LIG 1 -0.459 5.508 2.588 0.00 0.00 +0.101 C ATOM 32 N LIG 1 -0.622 4.300 1.791 0.00 0.00 -0.309 NA ATOM 33 H LIG 1 -0.031 4.362 0.955 0.00 0.00 +0.122 HD ENDBRANCH 29 32 ENDBRANCH 25 29 ENDBRANCH 1 26 BRANCH 4 34 ATOM 34 C LIG 1 2.354 -0.241 -0.974 0.00 0.00 +0.149 C BRANCH 34 35 ATOM 35 C LIG 1 3.742 -0.183 -0.324 0.00 0.00 -0.019 A ATOM 36 C LIG 1 4.854 -0.796 -1.019 0.00 0.00 -0.013 A ATOM 37 C LIG 1 6.136 -0.797 -0.408 0.00 0.00 -0.018 A ATOM 38 C LIG 1 7.240 -1.399 -1.037 0.00 0.00 +0.008 A ATOM 39 C LIG 1 7.119 -1.997 -2.285 0.00 0.00 +0.001 A ATOM 40 C LIG 1 5.889 -1.996 -2.919 0.00 0.00 +0.001 A ATOM 41 C LIG 1 6.320 -0.188 0.831 0.00 0.00 +0.009 A ATOM 42 C LIG 1 5.267 0.457 1.468 0.00 0.00 +0.004 A ATOM 43 C LIG 1 4.781 -1.406 -2.299 0.00 0.00 +0.009 A ATOM 44 C LIG 1 3.985 0.494 0.902 0.00 0.00 -0.045 A ATOM 45 C LIG 1 2.941 1.269 1.661 0.00 0.00 +0.044 C ENDBRANCH 34 35 ENDBRANCH 4 34 TORSDOF 6