REMARK Name = BDB028070 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.493 0.952 1.059 0.00 0.00 +0.056 A ATOM 2 N LIG 1 3.786 -0.359 1.328 0.00 0.00 -0.255 NA ATOM 3 C LIG 1 2.800 -1.299 1.349 0.00 0.00 +0.050 A ATOM 4 C LIG 1 1.498 -0.904 1.135 0.00 0.00 +0.004 A ATOM 5 C LIG 1 0.243 -1.698 1.110 0.00 0.00 +0.151 C ATOM 6 N LIG 1 -0.791 -0.690 0.894 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.230 0.584 0.752 0.00 0.00 +0.252 C ATOM 8 O LIG 1 -0.739 1.673 0.556 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.221 0.431 0.899 0.00 0.00 +0.045 A ATOM 10 C LIG 1 2.197 1.396 0.843 0.00 0.00 +0.038 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.174 -1.018 0.858 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.164 -0.030 0.734 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -4.551 -0.311 0.716 0.00 0.00 -0.035 A ATOM 14 C LIG 1 -4.909 -1.667 0.801 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -3.951 -2.672 0.914 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.596 -2.349 0.953 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.646 0.855 0.607 0.00 0.00 +0.049 C ATOM 18 C LIG 1 -6.839 0.818 1.607 0.00 0.00 +0.174 C ATOM 19 O LIG 1 -6.727 2.255 1.816 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 -5.343 2.182 1.371 0.00 0.00 +0.174 C BRANCH 17 21 ATOM 21 C LIG 1 -6.021 1.150 -0.861 0.00 0.00 +0.092 C BRANCH 21 22 ATOM 22 C LIG 1 -7.025 0.199 -1.421 0.00 0.00 +0.134 A ATOM 23 N LIG 1 -8.341 0.500 -1.680 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -9.006 1.764 -1.505 0.00 0.00 +0.151 C ATOM 25 C LIG 1 -8.910 -0.643 -2.147 0.00 0.00 +0.224 A ATOM 26 N LIG 1 -8.008 -1.596 -2.185 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 -6.820 -1.062 -1.745 0.00 0.00 -0.135 NA ENDBRANCH 21 22 ENDBRANCH 17 21 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 28 ATOM 28 C LIG 1 3.164 -2.736 1.631 0.00 0.00 +0.038 C ATOM 29 C LIG 1 3.082 -3.763 0.523 0.00 0.00 +0.010 C ATOM 30 C LIG 1 4.422 -3.333 1.040 0.00 0.00 +0.010 C ENDBRANCH 3 28 BRANCH 1 31 ATOM 31 C LIG 1 4.648 1.944 1.020 0.00 0.00 +0.139 C BRANCH 31 39 ATOM 32 C LIG 1 8.535 -0.559 -0.788 0.00 0.00 +0.015 C ATOM 33 C LIG 1 7.632 0.668 -0.932 0.00 0.00 +0.069 C ATOM 34 C LIG 1 7.056 0.772 -2.338 0.00 0.00 +0.254 C ATOM 35 F LIG 1 6.423 -0.387 -2.668 0.00 0.00 -0.205 F ATOM 36 F LIG 1 8.062 0.923 -3.239 0.00 0.00 -0.205 F ATOM 37 C LIG 1 6.081 1.924 -2.486 0.00 0.00 +0.091 C ATOM 38 C LIG 1 5.007 1.850 -1.408 0.00 0.00 +0.090 C ATOM 39 N LIG 1 5.628 1.807 -0.080 0.00 0.00 -0.296 NA ATOM 40 C LIG 1 6.484 0.623 0.081 0.00 0.00 +0.093 C ENDBRANCH 31 39 ENDBRANCH 1 31 TORSDOF 7