REMARK Name = BDB003475 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.417 -0.952 -1.344 0.00 0.00 +0.133 A ATOM 2 C LIG 1 0.346 -0.583 -0.477 0.00 0.00 -0.008 A ATOM 3 C LIG 1 0.677 0.128 0.694 0.00 0.00 +0.055 A ATOM 4 C LIG 1 2.002 0.450 0.930 0.00 0.00 +0.167 A ATOM 5 O LIG 1 2.466 1.135 2.010 0.00 0.00 -0.453 OA ATOM 6 C LIG 1 3.879 1.178 1.722 0.00 0.00 +0.466 C ATOM 7 O LIG 1 4.229 0.512 0.490 0.00 0.00 -0.453 OA ATOM 8 C LIG 1 3.008 0.096 0.065 0.00 0.00 +0.168 A ATOM 9 C LIG 1 2.755 -0.608 -1.088 0.00 0.00 +0.082 A ENDROOT BRANCH 1 11 ATOM 10 O LIG 1 0.531 -2.781 -2.434 0.00 0.00 -0.126 OA ATOM 11 N LIG 1 1.167 -1.726 -2.555 0.00 0.00 +0.057 N ATOM 12 O LIG 1 1.627 -1.280 -3.614 0.00 0.00 -0.126 OA ENDBRANCH 1 11 BRANCH 2 13 ATOM 13 C LIG 1 -1.093 -0.964 -0.799 0.00 0.00 +0.096 C BRANCH 13 14 ATOM 14 C LIG 1 -2.162 -0.234 -0.058 0.00 0.00 +0.082 A ATOM 15 C LIG 1 -2.892 0.831 -0.430 0.00 0.00 +0.212 A ATOM 16 N LIG 1 -3.788 1.146 0.548 0.00 0.00 -0.305 N ATOM 17 H LIG 1 -4.468 1.890 0.553 0.00 0.00 +0.171 HD ATOM 18 C LIG 1 -3.636 0.228 1.593 0.00 0.00 +0.158 A ATOM 19 S LIG 1 -4.487 0.171 2.999 0.00 0.00 -0.013 S ATOM 20 N LIG 1 -2.610 -0.632 1.188 0.00 0.00 -0.334 N ATOM 21 H LIG 1 -2.273 -1.421 1.723 0.00 0.00 +0.168 HD BRANCH 15 22 ATOM 22 O LIG 1 -2.821 1.541 -1.575 0.00 0.00 -0.492 OA ATOM 23 H LIG 1 -3.500 2.231 -1.517 0.00 0.00 +0.294 HD ENDBRANCH 15 22 ENDBRANCH 13 14 ENDBRANCH 2 13 TORSDOF 4