REMARK Name = BDB059757 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.105 -0.810 2.024 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -2.274 -1.218 2.672 0.00 0.00 +0.048 A ATOM 3 C LIG 1 -3.526 -0.788 2.224 0.00 0.00 +0.033 A ATOM 4 C LIG 1 -3.629 0.051 1.111 0.00 0.00 +0.086 A ATOM 5 C LIG 1 -2.457 0.465 0.471 0.00 0.00 +0.033 A ATOM 6 C LIG 1 -1.201 0.034 0.919 0.00 0.00 +0.048 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -4.872 0.525 0.658 0.00 0.00 -0.149 NA ATOM 8 N LIG 1 -5.546 -0.414 0.178 0.00 0.00 -0.149 NA BRANCH 8 9 ATOM 9 C LIG 1 -6.791 0.058 -0.276 0.00 0.00 +0.086 A ATOM 10 C LIG 1 -7.096 -0.008 -1.639 0.00 0.00 +0.030 A ATOM 11 C LIG 1 -8.337 0.428 -2.115 0.00 0.00 +0.014 A ATOM 12 C LIG 1 -9.300 0.937 -1.230 0.00 0.00 +0.055 A ATOM 13 C LIG 1 -9.002 0.982 0.141 0.00 0.00 +0.014 A ATOM 14 C LIG 1 -7.760 0.545 0.610 0.00 0.00 +0.030 A BRANCH 12 15 ATOM 15 C LIG 1 -10.648 1.388 -1.740 0.00 0.00 +0.417 C ATOM 16 F LIG 1 -11.224 2.343 -0.959 0.00 0.00 -0.166 F ATOM 17 F LIG 1 -11.544 0.365 -1.804 0.00 0.00 -0.166 F ATOM 18 F LIG 1 -10.593 1.918 -2.994 0.00 0.00 -0.166 F ENDBRANCH 12 15 ENDBRANCH 8 9 ENDBRANCH 4 7 BRANCH 1 19 ATOM 19 O LIG 1 0.044 -1.310 2.568 0.00 0.00 -0.492 OA BRANCH 19 20 ATOM 20 C LIG 1 1.300 -0.916 2.013 0.00 0.00 +0.233 C BRANCH 20 21 ATOM 21 C LIG 1 1.695 -1.835 0.857 0.00 0.00 +0.076 C BRANCH 21 25 ATOM 22 C LIG 1 5.529 -0.731 -0.761 0.00 0.00 +0.122 A ATOM 23 C LIG 1 4.364 -0.261 -1.361 0.00 0.00 +0.046 A ATOM 24 C LIG 1 3.120 -0.614 -0.834 0.00 0.00 +0.007 A ATOM 25 C LIG 1 3.036 -1.467 0.275 0.00 0.00 -0.044 A ATOM 26 C LIG 1 4.216 -1.964 0.844 0.00 0.00 +0.007 A ATOM 27 C LIG 1 5.459 -1.609 0.317 0.00 0.00 +0.046 A BRANCH 22 28 ATOM 28 O LIG 1 6.744 -0.441 -1.313 0.00 0.00 -0.475 OA BRANCH 28 30 ATOM 29 C LIG 1 6.651 2.037 -1.221 0.00 0.00 +0.067 C ATOM 30 C LIG 1 7.400 0.760 -0.827 0.00 0.00 +0.200 C ATOM 31 C LIG 1 7.700 0.712 0.675 0.00 0.00 +0.067 C BRANCH 30 32 ATOM 32 C LIG 1 8.758 0.785 -1.560 0.00 0.00 +0.348 C ATOM 33 O LIG 1 9.604 1.659 -1.430 0.00 0.00 -0.247 OA BRANCH 32 34 ATOM 34 O LIG 1 8.945 -0.276 -2.386 0.00 0.00 -0.478 OA ATOM 35 H LIG 1 8.152 -0.857 -2.351 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 30 32 ENDBRANCH 28 30 ENDBRANCH 22 28 ENDBRANCH 21 25 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 11