REMARK Name = BDB000218 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.292 -0.807 -1.575 0.00 0.00 +0.162 A ATOM 2 C LIG 1 -4.240 0.225 -1.490 0.00 0.00 +0.164 A ATOM 3 C LIG 1 -3.824 1.552 -1.638 0.00 0.00 +0.078 A ATOM 4 C LIG 1 -2.494 1.888 -1.863 0.00 0.00 +0.080 A ATOM 5 C LIG 1 -1.542 0.867 -1.933 0.00 0.00 +0.044 A ATOM 6 C LIG 1 -0.214 1.285 -2.151 0.00 0.00 +0.132 A ATOM 7 N LIG 1 0.114 2.582 -2.302 0.00 0.00 -0.220 NA ATOM 8 C LIG 1 -0.888 3.462 -2.223 0.00 0.00 +0.223 A ATOM 9 N LIG 1 -2.177 3.179 -2.002 0.00 0.00 -0.235 NA ATOM 10 C LIG 1 -1.953 -0.482 -1.795 0.00 0.00 +0.062 A ENDROOT BRANCH 6 11 ATOM 11 N LIG 1 0.831 0.319 -2.168 0.00 0.00 -0.312 N ATOM 12 C LIG 1 1.882 0.658 -3.165 0.00 0.00 +0.125 C ATOM 13 C LIG 1 3.145 1.259 -2.529 0.00 0.00 +0.128 C ATOM 14 N LIG 1 3.721 0.367 -1.513 0.00 0.00 -0.282 N ATOM 15 C LIG 1 5.075 0.488 -1.225 0.00 0.00 +0.307 C ATOM 16 N LIG 1 5.554 -0.476 -0.366 0.00 0.00 -0.269 N ATOM 17 H LIG 1 4.999 -1.313 -0.304 0.00 0.00 +0.156 HD ATOM 18 O LIG 1 5.753 1.380 -1.728 0.00 0.00 -0.252 OA ATOM 19 C LIG 1 2.756 -0.441 -0.755 0.00 0.00 +0.128 C ATOM 20 C LIG 1 1.337 0.157 -0.780 0.00 0.00 +0.125 C BRANCH 16 21 ATOM 21 C LIG 1 6.833 -0.544 0.223 0.00 0.00 +0.035 A ATOM 22 C LIG 1 7.170 -1.723 0.893 0.00 0.00 +0.027 A ATOM 23 C LIG 1 8.417 -1.855 1.513 0.00 0.00 +0.047 A ATOM 24 C LIG 1 9.345 -0.813 1.481 0.00 0.00 +0.121 A ATOM 25 C LIG 1 9.010 0.364 0.818 0.00 0.00 +0.047 A ATOM 26 C LIG 1 7.760 0.499 0.196 0.00 0.00 +0.027 A BRANCH 24 27 ATOM 27 O LIG 1 10.520 -1.083 2.123 0.00 0.00 -0.489 OA BRANCH 27 28 ATOM 28 C LIG 1 11.501 -0.049 2.252 0.00 0.00 +0.167 C ATOM 29 C LIG 1 12.418 -0.045 1.032 0.00 0.00 +0.051 C ATOM 30 C LIG 1 12.307 -0.365 3.509 0.00 0.00 +0.051 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 16 21 ENDBRANCH 6 11 BRANCH 1 32 ATOM 31 C LIG 1 -2.869 -3.155 -1.683 0.00 0.00 +0.277 C ATOM 32 O LIG 1 -3.765 -2.085 -1.420 0.00 0.00 -0.491 OA ENDBRANCH 1 32 BRANCH 2 33 ATOM 33 O LIG 1 -5.533 -0.171 -1.260 0.00 0.00 -0.488 OA BRANCH 33 34 ATOM 34 C LIG 1 -6.585 0.795 -1.244 0.00 0.00 +0.230 C BRANCH 34 35 ATOM 35 C LIG 1 -6.759 1.416 0.143 0.00 0.00 +0.056 C BRANCH 35 36 ATOM 36 C LIG 1 -7.168 0.391 1.211 0.00 0.00 +0.087 C BRANCH 36 37 ATOM 37 N LIG 1 -8.507 -0.170 0.982 0.00 0.00 -0.302 NA ATOM 38 C LIG 1 -9.595 0.774 1.276 0.00 0.00 +0.084 C ATOM 39 C LIG 1 -10.489 0.363 2.446 0.00 0.00 +0.015 C ATOM 40 C LIG 1 -11.070 -1.033 2.251 0.00 0.00 +0.002 C ATOM 41 C LIG 1 -10.088 -1.980 1.564 0.00 0.00 +0.015 C ATOM 42 C LIG 1 -8.652 -1.471 1.648 0.00 0.00 +0.084 C ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 2 33 TORSDOF 10