REMARK Name = BDB033662 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.128 -2.437 -0.481 0.00 0.00 -0.028 A ATOM 2 C LIG 1 -0.253 -3.052 -1.690 0.00 0.00 -0.046 A ATOM 3 C LIG 1 -1.391 -4.029 -1.772 0.00 0.00 +0.044 C ATOM 4 C LIG 1 0.463 -2.746 -2.860 0.00 0.00 +0.004 A ATOM 5 C LIG 1 1.540 -1.853 -2.840 0.00 0.00 +0.004 A ATOM 6 C LIG 1 1.942 -1.249 -1.647 0.00 0.00 -0.039 A ATOM 7 C LIG 1 1.233 -1.560 -0.479 0.00 0.00 +0.009 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 -0.593 -2.643 0.838 0.00 0.00 +0.145 C BRANCH 8 19 ATOM 9 C LIG 1 -3.254 0.069 0.853 0.00 0.00 +0.189 C ATOM 10 O LIG 1 -3.432 0.596 2.182 0.00 0.00 -0.486 OA ATOM 11 C LIG 1 -2.375 1.380 2.540 0.00 0.00 +0.147 A ATOM 12 C LIG 1 -1.122 0.868 2.854 0.00 0.00 +0.147 A ATOM 13 C LIG 1 -0.084 1.741 3.208 0.00 0.00 +0.032 A ATOM 14 C LIG 1 -0.311 3.117 3.252 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -1.574 3.623 2.958 0.00 0.00 +0.004 A ATOM 16 S LIG 1 -0.815 -0.872 2.846 0.00 0.00 +0.065 S ATOM 17 O LIG 1 0.622 -1.039 2.963 0.00 0.00 -0.153 OA ATOM 18 O LIG 1 -1.703 -1.510 3.793 0.00 0.00 -0.153 OA ATOM 19 N LIG 1 -1.246 -1.375 1.278 0.00 0.00 -0.169 NA ATOM 20 C LIG 1 -2.608 2.755 2.612 0.00 0.00 +0.047 A ATOM 21 C LIG 1 -2.703 -1.358 0.956 0.00 0.00 +0.154 C BRANCH 9 23 ATOM 22 C LIG 1 -4.659 -0.204 -1.281 0.00 0.00 +0.007 C ATOM 23 C LIG 1 -4.652 0.100 0.210 0.00 0.00 +0.042 C ENDBRANCH 9 23 ENDBRANCH 8 19 ENDBRANCH 1 8 BRANCH 6 24 ATOM 24 C LIG 1 3.146 -0.307 -1.626 0.00 0.00 +0.066 C BRANCH 24 25 ATOM 25 C LIG 1 2.851 0.991 -0.878 0.00 0.00 -0.002 A ATOM 26 S LIG 1 2.215 2.341 -1.730 0.00 0.00 -0.088 S ATOM 27 C LIG 1 2.141 3.307 -0.319 0.00 0.00 +0.074 A ATOM 28 C LIG 1 2.607 2.614 0.780 0.00 0.00 +0.021 A ATOM 29 C LIG 1 3.013 1.288 0.464 0.00 0.00 +0.012 A BRANCH 27 30 ATOM 30 C LIG 1 1.640 4.671 -0.330 0.00 0.00 +0.248 C ATOM 31 O LIG 1 1.569 5.387 0.666 0.00 0.00 -0.270 OA ATOM 32 N LIG 1 1.228 5.172 -1.533 0.00 0.00 -0.325 N ATOM 33 H LIG 1 0.875 6.118 -1.558 0.00 0.00 +0.145 HD ATOM 34 H LIG 1 1.240 4.613 -2.373 0.00 0.00 +0.145 HD ENDBRANCH 27 30 ENDBRANCH 24 25 BRANCH 24 35 ATOM 35 C LIG 1 4.388 -1.010 -1.054 0.00 0.00 +0.133 C BRANCH 35 36 ATOM 36 C LIG 1 4.891 -2.118 -1.936 0.00 0.00 +0.306 C ATOM 37 O LIG 1 5.189 -3.245 -1.573 0.00 0.00 -0.251 OA BRANCH 36 38 ATOM 38 O LIG 1 5.093 -1.744 -3.214 0.00 0.00 -0.481 OA ATOM 39 H LIG 1 5.455 -2.552 -3.638 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 24 35 ENDBRANCH 6 24 TORSDOF 9