REMARK Name = BDB048469 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.229 -2.338 0.231 0.00 0.00 +0.100 A ATOM 2 C LIG 1 1.183 -2.327 0.448 0.00 0.00 +0.029 A ATOM 3 C LIG 1 1.680 -3.353 -0.347 0.00 0.00 +0.066 A ATOM 4 C LIG 1 3.040 -3.660 -0.442 0.00 0.00 +0.029 A ATOM 5 C LIG 1 3.922 -2.865 0.297 0.00 0.00 +0.026 A ATOM 6 C LIG 1 3.455 -1.828 1.104 0.00 0.00 +0.049 A ATOM 7 N LIG 1 0.580 -3.899 -0.951 0.00 0.00 -0.276 N ATOM 8 H LIG 1 0.555 -4.672 -1.606 0.00 0.00 +0.189 HD ATOM 9 C LIG 1 2.087 -1.547 1.196 0.00 0.00 +0.036 A ATOM 10 N LIG 1 -0.579 -3.307 -0.629 0.00 0.00 -0.173 NA ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.029 0.160 0.513 0.00 0.00 +0.034 A ATOM 12 C LIG 1 -2.086 -0.715 -0.028 0.00 0.00 +0.033 A ATOM 13 C LIG 1 -1.225 -1.443 0.810 0.00 0.00 +0.004 A ATOM 14 C LIG 1 -1.322 -1.300 2.199 0.00 0.00 +0.010 A ATOM 15 C LIG 1 -2.267 -0.436 2.746 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.115 0.289 1.907 0.00 0.00 +0.023 A BRANCH 11 18 ATOM 17 C LIG 1 -3.978 1.055 -1.614 0.00 0.00 +0.241 C ATOM 18 N LIG 1 -3.926 0.936 -0.253 0.00 0.00 -0.282 N ATOM 19 H LIG 1 -4.586 1.486 0.296 0.00 0.00 +0.155 HD ATOM 20 O LIG 1 -3.240 0.515 -2.433 0.00 0.00 -0.270 OA BRANCH 17 22 ATOM 21 C LIG 1 -5.712 2.981 -1.692 0.00 0.00 +0.096 C ATOM 22 C LIG 1 -5.074 1.903 -2.171 0.00 0.00 +0.074 C BRANCH 21 24 ATOM 23 O LIG 1 -5.361 2.945 0.655 0.00 0.00 -0.246 OA ATOM 24 C LIG 1 -5.503 3.587 -0.371 0.00 0.00 +0.330 C BRANCH 24 25 ATOM 25 O LIG 1 -5.508 4.929 -0.425 0.00 0.00 -0.478 OA ATOM 26 H LIG 1 -5.542 5.313 -1.322 0.00 0.00 +0.295 HD ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 17 22 ENDBRANCH 11 18 ENDBRANCH 1 13 BRANCH 6 27 ATOM 27 N LIG 1 4.380 -0.976 1.773 0.00 0.00 -0.216 N ATOM 28 H LIG 1 4.081 -0.561 2.654 0.00 0.00 +0.174 HD BRANCH 27 29 ATOM 29 S LIG 1 5.252 0.142 0.840 0.00 0.00 +0.072 S ATOM 30 O LIG 1 5.870 1.052 1.782 0.00 0.00 -0.150 OA ATOM 31 O LIG 1 6.040 -0.567 -0.145 0.00 0.00 -0.150 OA BRANCH 29 32 ATOM 32 C LIG 1 3.970 1.038 -0.008 0.00 0.00 +0.108 A ATOM 33 C LIG 1 3.358 2.125 0.625 0.00 0.00 +0.029 A ATOM 34 C LIG 1 2.330 2.807 -0.028 0.00 0.00 +0.002 A ATOM 35 C LIG 1 1.928 2.409 -1.304 0.00 0.00 +0.000 A ATOM 36 C LIG 1 2.559 1.338 -1.940 0.00 0.00 +0.002 A ATOM 37 C LIG 1 3.589 0.653 -1.297 0.00 0.00 +0.029 A ENDBRANCH 29 32 ENDBRANCH 27 29 ENDBRANCH 6 27 TORSDOF 8