REMARK Name = BDB010543 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.098 -0.515 0.816 0.00 0.00 +0.101 A ATOM 2 C LIG 1 1.387 0.670 0.662 0.00 0.00 +0.115 A ATOM 3 C LIG 1 1.718 1.757 1.459 0.00 0.00 +0.184 A ATOM 4 N LIG 1 0.957 2.846 1.166 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 0.166 2.474 0.189 0.00 0.00 +0.201 A ATOM 6 N LIG 1 2.675 1.743 2.400 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 3.287 0.562 2.498 0.00 0.00 +0.202 A ATOM 8 N LIG 1 0.330 1.128 -0.095 0.00 0.00 -0.308 N ATOM 9 N LIG 1 3.058 -0.555 1.769 0.00 0.00 -0.222 NA ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 2.636 -2.958 -3.522 0.00 0.00 +0.044 C ATOM 11 C LIG 1 2.199 -2.934 -2.087 0.00 0.00 -0.050 A ATOM 12 C LIG 1 2.362 -1.774 -1.315 0.00 0.00 +0.013 A ATOM 13 C LIG 1 1.927 -1.722 0.021 0.00 0.00 +0.003 A ATOM 14 C LIG 1 1.341 -2.868 0.579 0.00 0.00 +0.010 A ATOM 15 C LIG 1 1.160 -4.021 -0.186 0.00 0.00 +0.001 A ATOM 16 C LIG 1 1.578 -4.049 -1.516 0.00 0.00 +0.003 A ENDBRANCH 1 13 BRANCH 7 17 ATOM 17 C LIG 1 4.358 0.433 3.512 0.00 0.00 +0.220 A ATOM 18 N LIG 1 5.010 -0.736 3.626 0.00 0.00 -0.269 N ATOM 19 H LIG 1 4.858 -1.571 3.083 0.00 0.00 +0.174 HD ATOM 20 C LIG 1 5.915 -0.586 4.600 0.00 0.00 +0.440 A ATOM 21 O LIG 1 6.697 -1.438 4.989 0.00 0.00 -0.221 OA ATOM 22 O LIG 1 5.815 0.693 5.091 0.00 0.00 -0.295 OA ATOM 23 N LIG 1 4.774 1.333 4.343 0.00 0.00 -0.051 NA ENDBRANCH 7 17 BRANCH 5 24 ATOM 24 N LIG 1 -0.767 3.240 -0.441 0.00 0.00 -0.297 N ATOM 25 C LIG 1 -0.502 3.588 -1.858 0.00 0.00 +0.136 C ATOM 26 C LIG 1 -0.383 5.106 -2.056 0.00 0.00 +0.179 C ATOM 27 O LIG 1 -1.568 5.815 -1.665 0.00 0.00 -0.377 OA ATOM 28 C LIG 1 -2.205 5.249 -0.507 0.00 0.00 +0.179 C ATOM 29 C LIG 1 -1.269 4.389 0.353 0.00 0.00 +0.136 C ENDBRANCH 5 24 BRANCH 8 30 ATOM 30 C LIG 1 -0.547 0.349 -0.952 0.00 0.00 +0.128 C BRANCH 30 31 ATOM 31 C LIG 1 -1.973 0.138 -0.399 0.00 0.00 +0.009 C ATOM 32 C LIG 1 -1.954 -0.542 0.985 0.00 0.00 +0.005 C ATOM 33 C LIG 1 -3.242 -1.312 1.251 0.00 0.00 +0.003 C ATOM 34 C LIG 1 -3.413 -2.471 0.254 0.00 0.00 -0.014 C ATOM 35 C LIG 1 -4.884 -2.880 0.171 0.00 0.00 +0.007 C ATOM 36 C LIG 1 -2.841 -2.141 -1.137 0.00 0.00 +0.003 C ATOM 37 C LIG 1 -2.835 -0.641 -1.416 0.00 0.00 +0.005 C ENDBRANCH 30 31 ENDBRANCH 8 30 TORSDOF 5