REMARK Name = BDB057673 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.003 -0.596 -0.681 0.00 0.00 -0.218 N ATOM 2 C LIG 1 1.124 -1.021 0.284 0.00 0.00 +0.261 C ATOM 3 O LIG 1 1.415 -1.667 1.280 0.00 0.00 -0.269 OA ATOM 4 C LIG 1 -0.255 -0.580 -0.058 0.00 0.00 +0.080 C ATOM 5 C LIG 1 -1.301 -0.867 0.728 0.00 0.00 +0.028 C ATOM 6 S LIG 1 -0.239 0.322 -1.523 0.00 0.00 -0.026 S ATOM 7 C LIG 1 1.499 0.169 -1.695 0.00 0.00 +0.286 C ATOM 8 O LIG 1 2.130 0.681 -2.606 0.00 0.00 -0.262 OA ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 -2.689 -0.466 0.484 0.00 0.00 -0.024 A ATOM 10 C LIG 1 -3.289 0.480 1.325 0.00 0.00 +0.011 A ATOM 11 C LIG 1 -4.616 0.868 1.117 0.00 0.00 +0.046 A ATOM 12 C LIG 1 -5.338 0.303 0.071 0.00 0.00 +0.117 A ATOM 13 C LIG 1 -4.758 -0.643 -0.766 0.00 0.00 +0.046 A ATOM 14 C LIG 1 -3.433 -1.030 -0.559 0.00 0.00 +0.011 A BRANCH 12 15 ATOM 15 O LIG 1 -6.634 0.652 -0.168 0.00 0.00 -0.507 OA ATOM 16 H LIG 1 -6.897 1.328 0.478 0.00 0.00 +0.292 HD ENDBRANCH 12 15 ENDBRANCH 5 9 BRANCH 1 17 ATOM 17 C LIG 1 3.430 -0.811 -0.547 0.00 0.00 +0.238 C BRANCH 17 18 ATOM 18 C LIG 1 4.037 0.335 0.246 0.00 0.00 +0.325 C ATOM 19 O LIG 1 3.418 1.288 0.701 0.00 0.00 -0.249 OA BRANCH 18 21 ATOM 20 C LIG 1 6.049 1.171 1.105 0.00 0.00 +0.280 C ATOM 21 O LIG 1 5.382 0.141 0.373 0.00 0.00 -0.467 OA ENDBRANCH 18 21 ENDBRANCH 17 18 ENDBRANCH 1 17 TORSDOF 5