REMARK Name = BDB028042 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.659 1.320 1.103 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.109 0.157 1.223 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.209 -1.018 1.254 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.511 0.580 1.325 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.642 -0.206 1.459 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.888 0.434 1.537 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.941 1.849 1.492 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.780 2.635 1.353 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.563 1.966 1.270 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.179 2.512 1.123 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.284 0.274 0.797 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -2.873 0.242 0.924 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -2.074 1.395 0.971 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.719 2.634 0.880 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -4.105 2.710 0.746 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.870 1.546 0.707 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -5.151 -1.074 0.748 0.00 0.00 +0.049 C ATOM 18 C LIG 1 -6.458 -1.135 1.591 0.00 0.00 +0.174 C ATOM 19 O LIG 1 -6.130 -2.483 2.032 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 -4.732 -2.212 1.729 0.00 0.00 +0.174 C BRANCH 17 21 ATOM 21 C LIG 1 -5.278 -1.614 -0.692 0.00 0.00 +0.092 C BRANCH 21 24 ATOM 22 C LIG 1 -7.936 -2.868 -1.716 0.00 0.00 +0.151 C ATOM 23 N LIG 1 -7.498 -1.514 -1.927 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -6.334 -0.930 -1.494 0.00 0.00 +0.134 A ATOM 25 N LIG 1 -6.324 0.323 -1.904 0.00 0.00 -0.135 NA ATOM 26 N LIG 1 -7.490 0.564 -2.589 0.00 0.00 -0.138 NA ATOM 27 C LIG 1 -8.182 -0.550 -2.599 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 2.843 4.138 1.302 0.00 0.00 +0.418 C ATOM 29 F LIG 1 4.108 4.636 1.340 0.00 0.00 -0.166 F ATOM 30 F LIG 1 2.272 4.641 0.174 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.179 4.714 2.341 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 5.160 -0.380 1.679 0.00 0.00 +0.119 C BRANCH 32 33 ATOM 33 N LIG 1 5.776 -0.862 0.440 0.00 0.00 -0.295 NA ATOM 34 C LIG 1 6.382 0.192 -0.392 0.00 0.00 +0.124 C ATOM 35 C LIG 1 6.680 -0.243 -1.849 0.00 0.00 +0.121 C ATOM 36 F LIG 1 5.558 -0.009 -2.600 0.00 0.00 -0.241 F ATOM 37 C LIG 1 7.798 0.593 -2.459 0.00 0.00 +0.048 C ATOM 38 C LIG 1 6.979 -1.737 -1.927 0.00 0.00 +0.043 C ATOM 39 C LIG 1 5.839 -2.566 -1.323 0.00 0.00 +0.018 C ATOM 40 C LIG 1 4.958 -1.786 -0.338 0.00 0.00 +0.085 C ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 7