REMARK Name = BDB020059 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.273 1.020 0.419 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.660 -0.321 0.522 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -2.002 -0.663 0.742 0.00 0.00 -0.016 A ATOM 4 C LIG 1 -2.952 0.369 0.820 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -2.586 1.719 0.685 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -1.235 2.033 0.484 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.415 -2.070 0.863 0.00 0.00 -0.006 A ATOM 8 C LIG 1 -2.050 -2.882 1.965 0.00 0.00 +0.065 A ATOM 9 C LIG 1 -2.473 -4.226 1.998 0.00 0.00 +0.051 A ATOM 10 C LIG 1 -3.249 -4.747 0.971 0.00 0.00 +0.124 A ATOM 11 F LIG 1 -3.641 -6.026 1.026 0.00 0.00 -0.205 F ATOM 12 C LIG 1 -3.624 -3.962 -0.106 0.00 0.00 +0.039 A ATOM 13 C LIG 1 -3.209 -2.631 -0.160 0.00 0.00 +0.012 A BRANCH 8 14 ATOM 14 C LIG 1 -1.218 -2.350 3.109 0.00 0.00 +0.418 C ATOM 15 F LIG 1 -1.701 -1.194 3.641 0.00 0.00 -0.166 F ATOM 16 F LIG 1 -1.124 -3.218 4.157 0.00 0.00 -0.166 F ATOM 17 F LIG 1 0.071 -2.090 2.743 0.00 0.00 -0.166 F ENDBRANCH 8 14 ENDBRANCH 3 7 BRANCH 1 20 ATOM 18 N LIG 1 2.080 0.605 0.832 0.00 0.00 -0.304 N ATOM 19 H LIG 1 1.789 -0.144 1.442 0.00 0.00 +0.150 HD ATOM 20 C LIG 1 1.147 1.402 0.210 0.00 0.00 +0.245 C ATOM 21 O LIG 1 1.418 2.396 -0.454 0.00 0.00 -0.270 OA BRANCH 18 22 ATOM 22 C LIG 1 3.505 0.803 0.653 0.00 0.00 +0.107 C BRANCH 22 29 ATOM 23 C LIG 1 6.678 0.300 -3.244 0.00 0.00 +0.047 C ATOM 24 C LIG 1 5.594 -0.263 -2.377 0.00 0.00 -0.015 A ATOM 25 C LIG 1 5.135 -1.565 -2.577 0.00 0.00 +0.126 A ATOM 26 F LIG 1 5.650 -2.310 -3.566 0.00 0.00 -0.205 F ATOM 27 C LIG 1 4.148 -2.114 -1.767 0.00 0.00 +0.039 A ATOM 28 C LIG 1 3.607 -1.359 -0.726 0.00 0.00 +0.008 A ATOM 29 C LIG 1 4.053 -0.049 -0.484 0.00 0.00 -0.027 A ATOM 30 C LIG 1 5.055 0.484 -1.319 0.00 0.00 +0.011 A ENDBRANCH 22 29 BRANCH 22 31 ATOM 31 C LIG 1 4.178 0.584 1.990 0.00 0.00 +0.014 C ATOM 32 C LIG 1 4.272 -0.769 2.661 0.00 0.00 +0.006 C ATOM 33 C LIG 1 5.522 -0.083 2.180 0.00 0.00 +0.006 C ENDBRANCH 22 31 ENDBRANCH 18 22 ENDBRANCH 1 20 BRANCH 5 34 ATOM 34 C LIG 1 -3.630 2.813 0.725 0.00 0.00 +0.141 C BRANCH 34 35 ATOM 35 N LIG 1 -4.384 2.881 -0.511 0.00 0.00 -0.315 N ATOM 36 C LIG 1 -5.467 2.106 -0.842 0.00 0.00 +0.089 C ATOM 37 N LIG 1 -6.248 1.436 -0.077 0.00 0.00 -0.289 NA ATOM 38 H LIG 1 -5.987 1.585 0.898 0.00 0.00 +0.188 HD ATOM 39 C LIG 1 -5.669 2.100 -2.339 0.00 0.00 +0.072 C ATOM 40 C LIG 1 -4.837 3.309 -2.758 0.00 0.00 +0.026 C ATOM 41 C LIG 1 -3.725 3.383 -1.712 0.00 0.00 +0.107 C ENDBRANCH 34 35 ENDBRANCH 5 34 TORSDOF 8