REMARK Name = BDB010832 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.049 -0.876 1.655 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.107 0.131 1.512 0.00 0.00 +0.128 A ATOM 3 C LIG 1 0.067 1.044 2.534 0.00 0.00 +0.184 A ATOM 4 N LIG 1 0.931 2.033 2.179 0.00 0.00 -0.209 NA ATOM 5 C LIG 1 1.312 1.756 0.940 0.00 0.00 +0.149 A ATOM 6 N LIG 1 -0.576 0.997 3.712 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -1.414 -0.049 3.784 0.00 0.00 +0.203 A ATOM 8 N LIG 1 0.791 0.526 0.546 0.00 0.00 -0.321 N ATOM 9 N LIG 1 -1.677 -0.974 2.838 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -2.161 -0.168 5.057 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -1.937 0.724 6.037 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -1.299 1.503 6.017 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -2.744 0.397 7.054 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -2.830 0.986 8.120 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -3.464 -0.715 6.695 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -3.048 -1.057 5.367 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 1 17 ATOM 17 N LIG 1 -1.357 -1.818 0.668 0.00 0.00 -0.324 N ATOM 18 H LIG 1 -1.469 -2.671 1.225 0.00 0.00 +0.148 HD BRANCH 17 20 ATOM 19 C LIG 1 -3.068 -2.871 -0.692 0.00 0.00 +0.028 C ATOM 20 C LIG 1 -2.693 -1.587 0.064 0.00 0.00 +0.072 C BRANCH 20 21 ATOM 21 C LIG 1 -2.713 -0.413 -0.925 0.00 0.00 +0.009 C ATOM 22 C LIG 1 -4.089 -0.095 -1.586 0.00 0.00 +0.005 C ATOM 23 C LIG 1 -3.689 1.391 -1.549 0.00 0.00 +0.001 C ATOM 24 C LIG 1 -2.781 1.038 -0.358 0.00 0.00 +0.005 C ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 1 17 BRANCH 5 25 ATOM 25 C LIG 1 2.117 2.704 0.058 0.00 0.00 +0.146 C ATOM 26 C LIG 1 2.784 3.802 0.908 0.00 0.00 +0.055 C BRANCH 25 27 ATOM 27 C LIG 1 1.237 3.342 -1.019 0.00 0.00 -0.006 A ATOM 28 C LIG 1 0.087 4.065 -0.661 0.00 0.00 +0.026 A ATOM 29 C LIG 1 -0.701 4.620 -1.656 0.00 0.00 +0.111 A ATOM 30 N LIG 1 -0.430 4.512 -2.972 0.00 0.00 -0.263 NA ATOM 31 C LIG 1 0.680 3.822 -3.308 0.00 0.00 +0.111 A ATOM 32 C LIG 1 1.531 3.232 -2.385 0.00 0.00 +0.026 A ENDBRANCH 25 27 BRANCH 25 33 ATOM 33 O LIG 1 3.157 1.925 -0.541 0.00 0.00 -0.376 OA ATOM 34 H LIG 1 3.959 2.475 -0.560 0.00 0.00 +0.211 HD ENDBRANCH 25 33 ENDBRANCH 5 25 BRANCH 8 35 ATOM 35 C LIG 1 1.118 -0.204 -0.672 0.00 0.00 +0.127 C BRANCH 35 36 ATOM 36 C LIG 1 2.397 -1.065 -0.546 0.00 0.00 +0.009 C ATOM 37 C LIG 1 3.083 -1.238 -1.912 0.00 0.00 +0.005 C ATOM 38 C LIG 1 2.336 -2.196 -2.838 0.00 0.00 +0.003 C ATOM 39 C LIG 1 2.094 -3.571 -2.202 0.00 0.00 -0.014 C ATOM 40 C LIG 1 3.384 -4.392 -2.114 0.00 0.00 +0.007 C ATOM 41 C LIG 1 1.422 -3.424 -0.832 0.00 0.00 +0.003 C ATOM 42 C LIG 1 2.140 -2.440 0.095 0.00 0.00 +0.005 C ENDBRANCH 35 36 ENDBRANCH 8 35 TORSDOF 9