REMARK Name = BDB028050 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.525 -1.497 -0.865 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.876 -0.329 -0.450 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -1.293 0.665 0.115 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 0.539 -0.472 -0.812 0.00 0.00 +0.043 A ATOM 5 C LIG 1 1.574 0.424 -0.614 0.00 0.00 +0.018 A ATOM 6 C LIG 1 2.854 0.051 -1.043 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.043 -1.210 -1.663 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.977 -2.109 -1.858 0.00 0.00 +0.061 A ATOM 9 C LIG 1 0.719 -1.710 -1.416 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.588 -2.432 -1.474 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -5.201 -1.119 -0.050 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -3.818 -0.857 -0.206 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -2.910 -1.790 -0.732 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -3.418 -3.032 -1.132 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -4.775 -3.328 -1.003 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -5.649 -2.383 -0.470 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -6.207 -0.012 0.553 0.00 0.00 +0.049 C ATOM 18 C LIG 1 -7.201 -0.528 1.634 0.00 0.00 +0.174 C ATOM 19 O LIG 1 -6.959 0.642 2.455 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 -5.698 0.851 1.751 0.00 0.00 +0.174 C BRANCH 17 21 ATOM 21 C LIG 1 -6.894 0.728 -0.616 0.00 0.00 +0.092 C BRANCH 21 24 ATOM 22 C LIG 1 -9.687 1.715 0.520 0.00 0.00 +0.151 C ATOM 23 N LIG 1 -8.562 2.521 0.136 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -7.347 2.126 -0.362 0.00 0.00 +0.134 A ATOM 25 N LIG 1 -6.629 3.206 -0.606 0.00 0.00 -0.135 NA ATOM 26 N LIG 1 -7.366 4.308 -0.249 0.00 0.00 -0.138 NA ATOM 27 C LIG 1 -8.520 3.881 0.201 0.00 0.00 +0.224 A ENDBRANCH 21 24 ENDBRANCH 17 21 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 2.182 -3.451 -2.505 0.00 0.00 +0.418 C ATOM 29 F LIG 1 1.892 -4.478 -1.658 0.00 0.00 -0.166 F ATOM 30 F LIG 1 1.371 -3.628 -3.586 0.00 0.00 -0.166 F ATOM 31 F LIG 1 3.449 -3.669 -2.946 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 4.028 0.992 -0.857 0.00 0.00 +0.119 C BRANCH 32 33 ATOM 33 N LIG 1 5.126 0.391 -0.085 0.00 0.00 -0.297 NA ATOM 34 C LIG 1 6.386 1.122 -0.295 0.00 0.00 +0.099 C ATOM 35 C LIG 1 7.429 0.992 0.834 0.00 0.00 +0.072 C ATOM 36 C LIG 1 7.318 2.095 1.890 0.00 0.00 +0.174 C ATOM 37 O LIG 1 8.643 2.439 2.322 0.00 0.00 -0.379 OA ATOM 38 C LIG 1 9.593 1.722 1.528 0.00 0.00 +0.160 C ATOM 39 C LIG 1 8.842 1.235 0.310 0.00 0.00 +0.044 C ATOM 40 C LIG 1 7.268 -0.393 1.457 0.00 0.00 +0.259 C ATOM 41 F LIG 1 8.166 -0.595 2.455 0.00 0.00 -0.205 F ATOM 42 F LIG 1 7.565 -1.334 0.513 0.00 0.00 -0.205 F ATOM 43 C LIG 1 5.872 -0.670 1.998 0.00 0.00 +0.091 C ATOM 44 C LIG 1 4.799 0.179 1.319 0.00 0.00 +0.090 C ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 7