REMARK Name = BDB044955 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.240 -0.786 2.020 0.00 0.00 +0.035 A ATOM 2 C LIG 1 0.019 0.464 1.435 0.00 0.00 +0.047 A ATOM 3 C LIG 1 -1.232 0.714 0.901 0.00 0.00 +0.043 A ATOM 4 N LIG 1 -1.648 1.883 0.272 0.00 0.00 -0.281 N ATOM 5 H LIG 1 -1.083 2.705 0.117 0.00 0.00 +0.155 HD ATOM 6 C LIG 1 -2.967 1.796 -0.153 0.00 0.00 +0.249 C ATOM 7 C LIG 1 -3.419 0.418 0.271 0.00 0.00 +0.048 C ATOM 8 C LIG 1 -4.613 -0.169 0.098 0.00 0.00 +0.039 C ATOM 9 O LIG 1 -3.579 2.660 -0.748 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -2.268 -0.221 0.927 0.00 0.00 +0.008 A ATOM 11 C LIG 1 -2.067 -1.460 1.501 0.00 0.00 +0.012 A ATOM 12 C LIG 1 -0.806 -1.736 2.049 0.00 0.00 +0.024 A ENDROOT BRANCH 8 13 ATOM 13 C LIG 1 -5.725 0.462 -0.504 0.00 0.00 +0.044 A ATOM 14 C LIG 1 -6.519 1.551 -0.186 0.00 0.00 -0.012 A ATOM 15 C LIG 1 -6.378 2.448 0.997 0.00 0.00 +0.047 C ATOM 16 C LIG 1 -7.521 1.673 -1.218 0.00 0.00 +0.082 A ATOM 17 C LIG 1 -7.301 0.623 -2.107 0.00 0.00 +0.028 A ATOM 18 C LIG 1 -8.001 0.232 -3.360 0.00 0.00 +0.064 C ATOM 19 N LIG 1 -6.215 -0.088 -1.659 0.00 0.00 -0.358 N ATOM 20 H LIG 1 -5.822 -0.892 -2.128 0.00 0.00 +0.166 HD BRANCH 16 21 ATOM 21 C LIG 1 -8.557 2.697 -1.301 0.00 0.00 +0.339 C ATOM 22 O LIG 1 -8.721 3.614 -0.508 0.00 0.00 -0.245 OA BRANCH 21 23 ATOM 23 O LIG 1 -9.397 2.589 -2.357 0.00 0.00 -0.477 OA ATOM 24 H LIG 1 -9.986 3.359 -2.229 0.00 0.00 +0.295 HD ENDBRANCH 21 23 ENDBRANCH 16 21 ENDBRANCH 8 13 BRANCH 1 26 ATOM 25 C LIG 1 2.646 -0.456 2.634 0.00 0.00 +0.226 C ATOM 26 N LIG 1 1.464 -1.173 2.607 0.00 0.00 -0.285 N ATOM 27 H LIG 1 1.487 -2.110 2.993 0.00 0.00 +0.155 HD ATOM 28 O LIG 1 2.858 0.637 2.114 0.00 0.00 -0.275 OA BRANCH 25 29 ATOM 29 C LIG 1 3.758 -1.159 3.367 0.00 0.00 +0.192 C BRANCH 29 32 ATOM 30 N LIG 1 5.393 -0.866 1.617 0.00 0.00 -0.285 N ATOM 31 H LIG 1 5.048 0.091 1.659 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 4.753 -1.786 2.425 0.00 0.00 +0.226 C ATOM 33 O LIG 1 4.936 -3.000 2.452 0.00 0.00 -0.275 OA BRANCH 30 37 ATOM 34 C LIG 1 8.491 -1.411 -1.209 0.00 0.00 +0.120 A ATOM 35 C LIG 1 7.909 -0.163 -1.001 0.00 0.00 +0.047 A ATOM 36 C LIG 1 6.878 -0.015 -0.063 0.00 0.00 +0.027 A ATOM 37 C LIG 1 6.419 -1.109 0.682 0.00 0.00 +0.034 A ATOM 38 C LIG 1 7.003 -2.356 0.467 0.00 0.00 +0.027 A ATOM 39 C LIG 1 8.028 -2.504 -0.475 0.00 0.00 +0.047 A BRANCH 34 41 ATOM 40 C LIG 1 10.032 -0.605 -2.829 0.00 0.00 +0.277 C ATOM 41 O LIG 1 9.500 -1.696 -2.086 0.00 0.00 -0.495 OA ENDBRANCH 34 41 ENDBRANCH 30 37 ENDBRANCH 29 32 ENDBRANCH 25 29 ENDBRANCH 1 26 TORSDOF 8