REMARK Name = BDB061566 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.728 0.068 -0.579 0.00 0.00 +0.094 A ATOM 2 C LIG 1 -1.814 1.020 -1.583 0.00 0.00 +0.110 A ATOM 3 C LIG 1 -0.613 1.382 -2.168 0.00 0.00 +0.126 A ATOM 4 N LIG 1 0.569 0.833 -1.814 0.00 0.00 -0.214 NA ATOM 5 C LIG 1 0.561 -0.082 -0.845 0.00 0.00 +0.190 A ATOM 6 N LIG 1 -0.547 -0.491 -0.218 0.00 0.00 -0.221 NA ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -4.142 -2.369 1.057 0.00 0.00 +0.166 A ATOM 8 C LIG 1 -5.018 -1.486 1.703 0.00 0.00 +0.204 A ATOM 9 C LIG 1 -4.850 -0.104 1.571 0.00 0.00 +0.166 A ATOM 10 C LIG 1 -3.769 0.411 0.856 0.00 0.00 +0.059 A ATOM 11 C LIG 1 -2.876 -0.447 0.196 0.00 0.00 +0.009 A ATOM 12 C LIG 1 -3.078 -1.840 0.315 0.00 0.00 +0.059 A BRANCH 7 14 ATOM 13 C LIG 1 -3.556 -4.624 0.540 0.00 0.00 +0.277 C ATOM 14 O LIG 1 -4.399 -3.705 1.219 0.00 0.00 -0.491 OA ENDBRANCH 7 14 BRANCH 8 15 ATOM 15 O LIG 1 -6.079 -1.971 2.431 0.00 0.00 -0.488 OA ATOM 16 C LIG 1 -5.673 -2.198 3.780 0.00 0.00 +0.277 C ENDBRANCH 8 15 BRANCH 9 17 ATOM 17 O LIG 1 -5.684 0.791 2.194 0.00 0.00 -0.491 OA ATOM 18 C LIG 1 -6.906 0.908 1.465 0.00 0.00 +0.277 C ENDBRANCH 9 17 ENDBRANCH 1 11 BRANCH 2 19 ATOM 19 C LIG 1 -3.057 1.581 -1.998 0.00 0.00 +0.104 C ATOM 20 N LIG 1 -4.067 2.050 -2.322 0.00 0.00 -0.191 NA ENDBRANCH 2 19 BRANCH 3 21 ATOM 21 S LIG 1 -0.514 2.607 -3.471 0.00 0.00 -0.042 S BRANCH 21 22 ATOM 22 C LIG 1 0.701 3.643 -2.744 0.00 0.00 +0.141 A ATOM 23 S LIG 1 0.464 4.486 -1.262 0.00 0.00 -0.069 S ATOM 24 C LIG 1 2.036 5.152 -1.406 0.00 0.00 +0.067 A ATOM 25 C LIG 1 2.623 4.708 -2.572 0.00 0.00 +0.120 A ATOM 26 N LIG 1 1.856 3.853 -3.338 0.00 0.00 -0.241 NA ENDBRANCH 21 22 ENDBRANCH 3 21 BRANCH 5 27 ATOM 27 S LIG 1 2.090 -0.807 -0.331 0.00 0.00 -0.081 S BRANCH 27 28 ATOM 28 C LIG 1 3.257 0.349 -1.112 0.00 0.00 +0.112 C BRANCH 28 29 ATOM 29 C LIG 1 4.681 0.037 -0.715 0.00 0.00 -0.037 A ATOM 30 C LIG 1 5.454 -0.855 -1.468 0.00 0.00 +0.005 A ATOM 31 C LIG 1 6.766 -1.150 -1.089 0.00 0.00 +0.012 A ATOM 32 C LIG 1 7.332 -0.561 0.051 0.00 0.00 +0.055 A ATOM 33 C LIG 1 6.553 0.325 0.811 0.00 0.00 +0.012 A ATOM 34 C LIG 1 5.241 0.618 0.432 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 8.746 -0.893 0.457 0.00 0.00 +0.417 C ATOM 36 F LIG 1 9.607 -0.900 -0.599 0.00 0.00 -0.166 F ATOM 37 F LIG 1 8.850 -2.122 1.034 0.00 0.00 -0.166 F ATOM 38 F LIG 1 9.274 -0.014 1.355 0.00 0.00 -0.166 F ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 5 27 TORSDOF 11