REMARK Name = BDB062646 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.663 -0.069 1.828 0.00 0.00 +0.220 C ATOM 2 O LIG 1 -1.248 0.083 2.902 0.00 0.00 -0.284 OA ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -1.381 -0.644 0.674 0.00 0.00 +0.049 A ATOM 4 C LIG 1 -2.811 -0.811 0.564 0.00 0.00 +0.011 A ATOM 5 C LIG 1 -3.082 -1.397 -0.674 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -4.379 -1.694 -1.111 0.00 0.00 +0.026 A ATOM 7 C LIG 1 -5.440 -1.385 -0.256 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -5.209 -0.801 0.986 0.00 0.00 +0.001 A ATOM 9 N LIG 1 -1.876 -1.593 -1.299 0.00 0.00 -0.360 N ATOM 10 H LIG 1 -1.763 -2.001 -2.217 0.00 0.00 +0.165 HD ATOM 11 C LIG 1 -3.906 -0.510 1.405 0.00 0.00 +0.011 A ATOM 12 C LIG 1 -0.854 -1.162 -0.499 0.00 0.00 +0.095 A ENDBRANCH 1 3 BRANCH 1 15 ATOM 13 C LIG 1 2.709 0.772 0.660 0.00 0.00 +0.133 A ATOM 14 N LIG 1 1.384 0.367 0.487 0.00 0.00 -0.231 NA ATOM 15 C LIG 1 0.741 0.308 1.637 0.00 0.00 +0.149 A ATOM 16 S LIG 1 1.689 0.765 3.002 0.00 0.00 -0.072 S ATOM 17 C LIG 1 3.039 1.024 1.980 0.00 0.00 +0.080 A BRANCH 13 21 ATOM 18 C LIG 1 5.635 1.927 -1.402 0.00 0.00 +0.128 C ATOM 19 N LIG 1 4.744 1.655 -0.303 0.00 0.00 -0.313 N ATOM 20 H LIG 1 4.762 2.289 0.482 0.00 0.00 +0.149 HD ATOM 21 C LIG 1 3.616 0.874 -0.496 0.00 0.00 +0.263 C ATOM 22 O LIG 1 3.378 0.321 -1.567 0.00 0.00 -0.269 OA ENDBRANCH 13 21 ENDBRANCH 1 15 TORSDOF 3