REMARK Name = BDB010337 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.062 2.046 1.348 0.00 0.00 +0.201 A ATOM 2 N LIG 1 0.530 1.020 0.591 0.00 0.00 -0.307 N ATOM 3 C LIG 1 -0.735 0.759 1.074 0.00 0.00 +0.129 A ATOM 4 C LIG 1 -0.846 1.601 2.170 0.00 0.00 +0.185 A ATOM 5 N LIG 1 -1.912 1.647 2.985 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 -2.858 0.771 2.622 0.00 0.00 +0.203 A ATOM 7 N LIG 1 -2.848 -0.075 1.576 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 -1.784 -0.097 0.748 0.00 0.00 +0.149 A ATOM 9 N LIG 1 0.253 2.389 2.322 0.00 0.00 -0.194 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -4.064 0.760 3.481 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -4.120 1.579 4.544 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -3.413 2.231 4.845 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -5.302 1.371 5.135 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -5.714 1.937 6.135 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -5.980 0.410 4.426 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -5.126 0.033 3.338 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 1 17 ATOM 17 N LIG 1 2.291 2.578 1.078 0.00 0.00 -0.304 N ATOM 18 C LIG 1 3.215 2.439 2.218 0.00 0.00 +0.132 C BRANCH 17 19 ATOM 19 C LIG 1 2.230 3.987 0.615 0.00 0.00 +0.107 C BRANCH 19 21 ATOM 20 C LIG 1 3.174 3.662 -1.718 0.00 0.00 +0.005 C ATOM 21 C LIG 1 1.965 4.074 -0.890 0.00 0.00 +0.016 C ENDBRANCH 19 21 ENDBRANCH 17 19 ENDBRANCH 1 17 BRANCH 8 22 ATOM 22 N LIG 1 -1.770 -0.948 -0.347 0.00 0.00 -0.324 N ATOM 23 H LIG 1 -1.271 -0.578 -1.144 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 -3.005 -1.655 -0.704 0.00 0.00 +0.072 C ATOM 25 C LIG 1 -2.599 -2.892 -1.509 0.00 0.00 +0.028 C BRANCH 24 26 ATOM 26 C LIG 1 -3.968 -0.727 -1.468 0.00 0.00 +0.009 C ATOM 27 C LIG 1 -5.266 -1.325 -2.072 0.00 0.00 +0.005 C ATOM 28 C LIG 1 -4.617 -1.244 -3.465 0.00 0.00 +0.001 C ATOM 29 C LIG 1 -3.606 -0.235 -2.895 0.00 0.00 +0.005 C ENDBRANCH 24 26 ENDBRANCH 22 24 ENDBRANCH 8 22 BRANCH 2 30 ATOM 30 C LIG 1 1.195 0.349 -0.512 0.00 0.00 +0.128 C BRANCH 30 31 ATOM 31 C LIG 1 1.643 -1.093 -0.200 0.00 0.00 +0.009 C ATOM 32 C LIG 1 2.775 -1.112 0.846 0.00 0.00 +0.005 C ATOM 33 C LIG 1 3.599 -2.390 0.752 0.00 0.00 +0.003 C ATOM 34 C LIG 1 4.328 -2.484 -0.600 0.00 0.00 -0.014 C ATOM 35 C LIG 1 4.652 -3.943 -0.924 0.00 0.00 +0.007 C ATOM 36 C LIG 1 3.541 -1.814 -1.742 0.00 0.00 +0.003 C ATOM 37 C LIG 1 2.036 -1.837 -1.493 0.00 0.00 +0.005 C ENDBRANCH 30 31 ENDBRANCH 2 30 TORSDOF 9