REMARK Name = BDB029337 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.619 -1.831 -1.281 0.00 0.00 -0.032 A ATOM 2 C LIG 1 3.032 -0.973 -2.246 0.00 0.00 +0.017 A ATOM 3 C LIG 1 1.717 -0.486 -2.105 0.00 0.00 +0.061 A ATOM 4 C LIG 1 1.007 -0.888 -0.976 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.371 -0.515 -0.526 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -0.498 -1.175 0.764 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.635 -1.939 1.063 0.00 0.00 +0.251 C ATOM 8 O LIG 1 0.902 -2.645 2.021 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.584 -1.739 -0.037 0.00 0.00 +0.043 A ATOM 10 C LIG 1 2.873 -2.227 -0.160 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -1.597 -0.921 1.629 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -2.673 -0.121 1.204 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -3.751 0.248 2.037 0.00 0.00 -0.039 A ATOM 14 C LIG 1 -3.726 -0.268 3.339 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -2.686 -1.082 3.785 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -1.630 -1.404 2.934 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -4.932 1.219 1.519 0.00 0.00 +0.003 C ATOM 18 C LIG 1 -5.396 2.312 2.557 0.00 0.00 +0.016 C ATOM 19 C LIG 1 -5.504 3.329 1.394 0.00 0.00 +0.004 C ATOM 20 C LIG 1 -4.511 2.436 0.612 0.00 0.00 +0.016 C BRANCH 19 21 ATOM 21 C LIG 1 -5.063 4.750 1.727 0.00 0.00 +0.122 C BRANCH 21 22 ATOM 22 C LIG 1 -5.162 5.617 0.547 0.00 0.00 +0.063 C ATOM 23 N LIG 1 -5.257 6.309 -0.382 0.00 0.00 -0.197 NA ENDBRANCH 21 22 ENDBRANCH 19 21 BRANCH 17 24 ATOM 24 C LIG 1 -6.127 0.382 1.006 0.00 0.00 +0.088 C BRANCH 24 25 ATOM 25 C LIG 1 -5.829 -0.494 -0.165 0.00 0.00 +0.134 A ATOM 26 N LIG 1 -6.404 -1.724 -0.377 0.00 0.00 -0.320 N ATOM 27 C LIG 1 -7.363 -2.399 0.453 0.00 0.00 +0.151 C ATOM 28 C LIG 1 -5.898 -2.186 -1.549 0.00 0.00 +0.224 A ATOM 29 N LIG 1 -5.053 -1.305 -2.038 0.00 0.00 -0.138 NA ATOM 30 N LIG 1 -5.017 -0.236 -1.175 0.00 0.00 -0.135 NA ENDBRANCH 24 25 ENDBRANCH 17 24 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 31 ATOM 31 C LIG 1 1.103 0.418 -3.142 0.00 0.00 +0.418 C ATOM 32 F LIG 1 0.408 1.452 -2.590 0.00 0.00 -0.166 F ATOM 33 F LIG 1 0.220 -0.242 -3.940 0.00 0.00 -0.166 F ATOM 34 F LIG 1 2.014 0.988 -3.975 0.00 0.00 -0.166 F ENDBRANCH 3 31 BRANCH 1 35 ATOM 35 C LIG 1 5.057 -2.280 -1.441 0.00 0.00 +0.119 C BRANCH 35 43 ATOM 36 C LIG 1 8.103 0.547 -2.806 0.00 0.00 +0.015 C ATOM 37 C LIG 1 8.386 -0.481 -1.703 0.00 0.00 +0.069 C ATOM 38 C LIG 1 8.389 0.140 -0.315 0.00 0.00 +0.254 C ATOM 39 F LIG 1 9.229 1.206 -0.278 0.00 0.00 -0.205 F ATOM 40 F LIG 1 8.904 -0.766 0.560 0.00 0.00 -0.205 F ATOM 41 C LIG 1 7.016 0.545 0.173 0.00 0.00 +0.091 C ATOM 42 C LIG 1 6.048 -0.628 0.059 0.00 0.00 +0.090 C ATOM 43 N LIG 1 6.023 -1.171 -1.314 0.00 0.00 -0.298 NA ATOM 44 C LIG 1 7.364 -1.628 -1.719 0.00 0.00 +0.093 C ENDBRANCH 35 43 ENDBRANCH 1 35 TORSDOF 9