REMARK Name = BDB059540 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.646 0.060 -0.045 0.00 0.00 +0.192 A ATOM 2 N LIG 1 0.316 0.222 -0.079 0.00 0.00 -0.207 NA ATOM 3 C LIG 1 -0.239 1.155 0.711 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.538 1.923 1.549 0.00 0.00 +0.084 A ATOM 5 C LIG 1 1.885 1.675 1.505 0.00 0.00 +0.135 A ATOM 6 CL LIG 1 2.971 2.559 2.498 0.00 0.00 -0.062 Cl ATOM 7 N LIG 1 2.478 0.763 0.726 0.00 0.00 -0.210 NA ENDROOT BRANCH 3 8 ATOM 8 N LIG 1 -1.638 1.363 0.740 0.00 0.00 -0.299 N ATOM 9 H LIG 1 -1.850 2.354 0.694 0.00 0.00 +0.154 HD BRANCH 8 10 ATOM 10 C LIG 1 -2.669 0.595 0.150 0.00 0.00 +0.032 A ATOM 11 C LIG 1 -3.929 1.188 -0.036 0.00 0.00 +0.023 A ATOM 12 C LIG 1 -5.003 0.461 -0.560 0.00 0.00 +0.002 A ATOM 13 C LIG 1 -4.840 -0.882 -0.886 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -3.609 -1.496 -0.676 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -2.538 -0.765 -0.150 0.00 0.00 +0.023 A ENDBRANCH 8 10 ENDBRANCH 3 8 BRANCH 1 16 ATOM 16 S LIG 1 2.316 -1.188 -1.112 0.00 0.00 -0.075 S BRANCH 16 17 ATOM 17 C LIG 1 4.070 -1.066 -0.667 0.00 0.00 +0.197 C BRANCH 17 19 ATOM 18 O LIG 1 4.554 -2.871 -2.254 0.00 0.00 -0.250 OA ATOM 19 C LIG 1 4.929 -2.054 -1.429 0.00 0.00 +0.315 C BRANCH 19 20 ATOM 20 O LIG 1 6.244 -1.948 -1.093 0.00 0.00 -0.480 OA ATOM 21 H LIG 1 6.439 -1.265 -0.424 0.00 0.00 +0.295 HD ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 16 17 ENDBRANCH 1 16 TORSDOF 6