REMARK Name = BDB010850 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.901 -0.218 0.656 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.925 -1.114 0.211 0.00 0.00 +0.128 A ATOM 3 C LIG 1 0.930 -2.409 0.700 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -0.055 -3.160 0.148 0.00 0.00 -0.209 NA ATOM 5 C LIG 1 -0.701 -2.370 -0.698 0.00 0.00 +0.151 A ATOM 6 N LIG 1 1.809 -2.895 1.587 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 2.713 -1.978 1.949 0.00 0.00 +0.203 A ATOM 8 N LIG 1 -0.130 -1.097 -0.692 0.00 0.00 -0.321 N ATOM 9 N LIG 1 2.803 -0.704 1.534 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 3.722 -2.438 2.930 0.00 0.00 +0.220 A ATOM 11 N LIG 1 3.682 -3.708 3.366 0.00 0.00 -0.269 N ATOM 12 H LIG 1 3.023 -4.423 3.102 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 4.689 -3.853 4.236 0.00 0.00 +0.440 A ATOM 14 O LIG 1 4.971 -4.872 4.845 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 5.356 -2.656 4.331 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 4.683 -1.746 3.452 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 1 17 ATOM 17 N LIG 1 1.994 1.102 0.242 0.00 0.00 -0.324 N ATOM 18 H LIG 1 1.101 1.533 0.063 0.00 0.00 +0.148 HD BRANCH 17 20 ATOM 19 C LIG 1 2.323 2.472 2.251 0.00 0.00 +0.028 C ATOM 20 C LIG 1 2.937 1.990 0.933 0.00 0.00 +0.072 C BRANCH 20 21 ATOM 21 C LIG 1 3.211 3.208 0.030 0.00 0.00 +0.009 C ATOM 22 C LIG 1 4.421 4.107 0.409 0.00 0.00 +0.005 C ATOM 23 C LIG 1 5.269 3.300 -0.590 0.00 0.00 +0.001 C ATOM 24 C LIG 1 3.960 2.919 -1.303 0.00 0.00 +0.005 C ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 1 17 BRANCH 5 25 ATOM 25 C LIG 1 -1.841 -2.912 -1.570 0.00 0.00 +0.171 C BRANCH 25 26 ATOM 26 C LIG 1 -3.029 -3.399 -0.725 0.00 0.00 -0.007 A ATOM 27 C LIG 1 -3.631 -4.655 -0.909 0.00 0.00 +0.007 A ATOM 28 C LIG 1 -4.736 -5.048 -0.148 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -5.269 -4.191 0.810 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -4.696 -2.941 1.010 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -3.591 -2.548 0.251 0.00 0.00 +0.007 A ENDBRANCH 25 26 BRANCH 25 32 ATOM 32 O LIG 1 -2.343 -1.869 -2.416 0.00 0.00 -0.374 OA ATOM 33 H LIG 1 -3.290 -2.053 -2.555 0.00 0.00 +0.211 HD ENDBRANCH 25 32 BRANCH 25 34 ATOM 34 C LIG 1 -1.213 -3.979 -2.527 0.00 0.00 +0.203 C BRANCH 34 35 ATOM 35 O LIG 1 -0.693 -5.139 -1.873 0.00 0.00 -0.391 OA ATOM 36 H LIG 1 -0.260 -4.831 -1.048 0.00 0.00 +0.210 HD ENDBRANCH 34 35 ENDBRANCH 25 34 ENDBRANCH 5 25 BRANCH 8 37 ATOM 37 C LIG 1 -0.461 0.008 -1.579 0.00 0.00 +0.127 C BRANCH 37 38 ATOM 38 C LIG 1 -1.722 0.816 -1.194 0.00 0.00 +0.009 C ATOM 39 C LIG 1 -2.103 1.744 -2.366 0.00 0.00 +0.005 C ATOM 40 C LIG 1 -3.012 2.878 -1.909 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -2.295 3.803 -0.910 0.00 0.00 -0.014 C ATOM 42 C LIG 1 -3.316 4.518 -0.025 0.00 0.00 +0.007 C ATOM 43 C LIG 1 -1.244 3.056 -0.069 0.00 0.00 +0.003 C ATOM 44 C LIG 1 -1.607 1.588 0.137 0.00 0.00 +0.005 C ENDBRANCH 37 38 ENDBRANCH 8 37 TORSDOF 11