REMARK Name = BDB027157 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.510 -0.805 -1.979 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.898 -1.925 -1.013 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -3.831 -1.765 0.026 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -4.165 -2.832 0.865 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -3.586 -4.083 0.673 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.679 -4.272 -0.364 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.344 -3.207 -1.203 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.995 -0.634 -2.271 0.00 0.00 +0.186 C ATOM 9 O LIG 1 -0.638 -0.480 -3.446 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 4.233 -0.098 -1.032 0.00 0.00 -0.013 A ATOM 11 C LIG 1 3.419 -0.334 0.087 0.00 0.00 +0.034 A ATOM 12 C LIG 1 2.038 -0.486 -0.112 0.00 0.00 +0.048 A ATOM 13 C LIG 1 1.439 -0.418 -1.369 0.00 0.00 +0.010 A ATOM 14 C LIG 1 0.021 -0.620 -1.197 0.00 0.00 +0.044 A ATOM 15 C LIG 1 -0.172 -0.791 0.163 0.00 0.00 +0.095 A ATOM 16 C LIG 1 2.272 -0.180 -2.483 0.00 0.00 +0.011 A ATOM 17 N LIG 1 1.039 -0.714 0.799 0.00 0.00 -0.360 N ATOM 18 H LIG 1 1.182 -0.812 1.795 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 3.654 -0.020 -2.303 0.00 0.00 +0.009 A BRANCH 10 23 ATOM 20 N LIG 1 7.729 -0.123 -0.141 0.00 0.00 -0.269 N ATOM 21 N LIG 1 7.838 0.751 -1.161 0.00 0.00 -0.179 NA ATOM 22 C LIG 1 6.582 0.883 -1.595 0.00 0.00 +0.142 A ATOM 23 C LIG 1 5.666 0.078 -0.878 0.00 0.00 +0.020 A ATOM 24 C LIG 1 6.454 -0.580 0.044 0.00 0.00 +0.117 A BRANCH 20 25 ATOM 25 C LIG 1 8.926 -0.559 0.553 0.00 0.00 +0.171 C BRANCH 25 26 ATOM 26 C LIG 1 8.858 -0.402 2.071 0.00 0.00 +0.182 C BRANCH 26 28 ATOM 27 C LIG 1 9.681 1.835 2.240 0.00 0.00 +0.194 C ATOM 28 O LIG 1 8.624 0.930 2.530 0.00 0.00 -0.381 OA ENDBRANCH 26 28 ENDBRANCH 25 26 ENDBRANCH 20 25 ENDBRANCH 10 23 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 29 ATOM 29 N LIG 1 -3.202 0.500 -1.816 0.00 0.00 -0.303 NA ATOM 30 H LIG 1 -4.198 0.332 -1.692 0.00 0.00 +0.123 HD BRANCH 29 31 ATOM 31 C LIG 1 -2.680 1.379 -0.770 0.00 0.00 +0.086 C BRANCH 31 32 ATOM 32 C LIG 1 -3.571 2.620 -0.574 0.00 0.00 +0.050 C BRANCH 32 33 ATOM 33 C LIG 1 -4.925 2.297 0.017 0.00 0.00 -0.046 A ATOM 34 C LIG 1 -5.051 2.001 1.380 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -6.298 1.673 1.919 0.00 0.00 +0.013 A ATOM 36 C LIG 1 -7.434 1.632 1.103 0.00 0.00 +0.037 A ATOM 37 C LIG 1 -7.316 1.946 -0.256 0.00 0.00 +0.013 A ATOM 38 C LIG 1 -6.067 2.272 -0.794 0.00 0.00 +0.004 A BRANCH 36 39 ATOM 39 C LIG 1 -8.736 1.272 1.727 0.00 0.00 +0.242 C ATOM 40 O LIG 1 -8.904 1.325 2.939 0.00 0.00 -0.270 OA ATOM 41 N LIG 1 -9.737 0.835 0.905 0.00 0.00 -0.325 N ATOM 42 H LIG 1 -10.565 0.484 1.369 0.00 0.00 +0.145 HD ATOM 43 H LIG 1 -9.565 0.516 -0.037 0.00 0.00 +0.145 HD ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 1 29 TORSDOF 12