REMARK Name = BDB048480 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.589 -0.546 -1.466 0.00 0.00 +0.100 A ATOM 2 C LIG 1 -0.748 -1.020 -1.265 0.00 0.00 +0.027 A ATOM 3 C LIG 1 -1.521 -0.320 -2.184 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -2.903 -0.492 -2.317 0.00 0.00 +0.052 A ATOM 5 C LIG 1 -3.517 -1.413 -1.464 0.00 0.00 +0.050 A ATOM 6 C LIG 1 -2.776 -2.128 -0.524 0.00 0.00 +0.025 A ATOM 7 N LIG 1 -0.646 0.498 -2.841 0.00 0.00 -0.276 N ATOM 8 H LIG 1 -0.857 1.154 -3.584 0.00 0.00 +0.189 HD ATOM 9 C LIG 1 -1.391 -1.940 -0.411 0.00 0.00 +0.014 A ATOM 10 N LIG 1 0.622 0.408 -2.413 0.00 0.00 -0.173 NA ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 3.961 -0.349 0.225 0.00 0.00 +0.034 A ATOM 12 C LIG 1 2.779 0.008 -0.438 0.00 0.00 +0.033 A ATOM 13 C LIG 1 1.814 -0.954 -0.777 0.00 0.00 +0.004 A ATOM 14 C LIG 1 2.055 -2.295 -0.460 0.00 0.00 +0.010 A ATOM 15 C LIG 1 3.228 -2.658 0.204 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.174 -1.689 0.548 0.00 0.00 +0.023 A BRANCH 11 18 ATOM 17 C LIG 1 6.072 0.602 1.157 0.00 0.00 +0.241 C ATOM 18 N LIG 1 4.869 0.689 0.517 0.00 0.00 -0.282 N ATOM 19 H LIG 1 4.599 1.612 0.186 0.00 0.00 +0.155 HD ATOM 20 O LIG 1 6.571 -0.406 1.649 0.00 0.00 -0.270 OA BRANCH 17 22 ATOM 21 C LIG 1 6.867 3.034 0.649 0.00 0.00 +0.096 C ATOM 22 C LIG 1 6.823 1.879 1.330 0.00 0.00 +0.074 C BRANCH 21 24 ATOM 23 O LIG 1 6.572 4.348 -1.303 0.00 0.00 -0.246 OA ATOM 24 C LIG 1 6.150 3.497 -0.542 0.00 0.00 +0.330 C BRANCH 24 25 ATOM 25 O LIG 1 4.931 2.968 -0.696 0.00 0.00 -0.478 OA ATOM 26 H LIG 1 4.603 3.398 -1.518 0.00 0.00 +0.295 HD ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 17 22 ENDBRANCH 11 18 ENDBRANCH 1 13 BRANCH 5 27 ATOM 27 N LIG 1 -4.927 -1.597 -1.513 0.00 0.00 -0.216 N ATOM 28 H LIG 1 -5.300 -2.502 -1.230 0.00 0.00 +0.174 HD BRANCH 27 29 ATOM 29 S LIG 1 -5.938 -0.327 -1.036 0.00 0.00 +0.072 S ATOM 30 O LIG 1 -7.268 -0.892 -0.933 0.00 0.00 -0.150 OA ATOM 31 O LIG 1 -5.678 0.832 -1.863 0.00 0.00 -0.150 OA BRANCH 29 32 ATOM 32 C LIG 1 -5.379 0.031 0.614 0.00 0.00 +0.108 A ATOM 33 C LIG 1 -4.445 1.050 0.826 0.00 0.00 +0.029 A ATOM 34 C LIG 1 -4.015 1.326 2.124 0.00 0.00 +0.002 A ATOM 35 C LIG 1 -4.526 0.598 3.199 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -5.474 -0.405 2.985 0.00 0.00 +0.002 A ATOM 37 C LIG 1 -5.908 -0.690 1.690 0.00 0.00 +0.029 A ENDBRANCH 29 32 ENDBRANCH 27 29 ENDBRANCH 5 27 TORSDOF 8