REMARK Name = BDB037728 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.627 2.394 0.694 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -1.437 1.441 0.055 0.00 0.00 +0.136 A ATOM 3 C LIG 1 -0.977 0.238 -0.439 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -2.135 -0.549 -0.647 0.00 0.00 +0.154 A ATOM 5 N LIG 1 -3.249 0.162 -0.389 0.00 0.00 -0.160 NA ATOM 6 C LIG 1 0.471 -0.082 -0.565 0.00 0.00 +0.084 C ATOM 7 C LIG 1 1.288 1.227 -0.478 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -2.811 1.431 -0.156 0.00 0.00 -0.217 N ATOM 9 C LIG 1 0.765 2.178 0.631 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.561 2.760 1.378 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.798 -1.133 0.490 0.00 0.00 -0.037 A ATOM 12 C LIG 1 0.530 -0.971 1.861 0.00 0.00 +0.007 A ATOM 13 C LIG 1 0.871 -1.968 2.778 0.00 0.00 +0.038 A ATOM 14 C LIG 1 1.491 -3.129 2.335 0.00 0.00 +0.123 A ATOM 15 F LIG 1 1.818 -4.082 3.218 0.00 0.00 -0.205 F ATOM 16 C LIG 1 1.777 -3.314 0.991 0.00 0.00 +0.038 A ATOM 17 C LIG 1 1.433 -2.320 0.073 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 4 18 ATOM 18 C LIG 1 -2.195 -1.952 -1.097 0.00 0.00 +0.274 C ATOM 19 N LIG 1 -3.250 -2.728 -0.613 0.00 0.00 -0.223 N ATOM 20 C LIG 1 -3.744 -2.546 0.668 0.00 0.00 +0.220 C ATOM 21 O LIG 1 -3.048 -2.177 1.615 0.00 0.00 -0.275 OA ATOM 22 C LIG 1 -5.186 -2.933 0.890 0.00 0.00 +0.110 C ATOM 23 O LIG 1 -1.362 -2.403 -1.884 0.00 0.00 -0.268 OA BRANCH 19 24 ATOM 24 C LIG 1 -3.571 -3.935 -1.360 0.00 0.00 +0.235 C BRANCH 24 25 ATOM 25 C LIG 1 -4.495 -3.656 -2.471 0.00 0.00 +0.082 C ATOM 26 N LIG 1 -5.250 -3.445 -3.328 0.00 0.00 -0.195 NA ENDBRANCH 24 25 ENDBRANCH 19 24 ENDBRANCH 4 18 BRANCH 8 27 ATOM 27 C LIG 1 -3.721 2.512 -0.325 0.00 0.00 +0.067 A ATOM 28 C LIG 1 -5.097 2.280 -0.189 0.00 0.00 +0.028 A ATOM 29 C LIG 1 -6.007 3.321 -0.386 0.00 0.00 +0.002 A ATOM 30 C LIG 1 -5.550 4.590 -0.740 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -4.186 4.819 -0.907 0.00 0.00 +0.002 A ATOM 32 C LIG 1 -3.270 3.782 -0.711 0.00 0.00 +0.028 A ENDBRANCH 8 27 BRANCH 7 33 ATOM 33 N LIG 1 2.727 1.028 -0.292 0.00 0.00 -0.299 N ATOM 34 H LIG 1 3.095 1.263 0.623 0.00 0.00 +0.150 HD ATOM 35 C LIG 1 3.511 0.435 -1.249 0.00 0.00 +0.245 C ATOM 36 O LIG 1 3.063 0.033 -2.317 0.00 0.00 -0.270 OA BRANCH 35 37 ATOM 37 C LIG 1 4.951 0.255 -0.920 0.00 0.00 +0.037 A ATOM 38 C LIG 1 5.648 -0.784 -1.552 0.00 0.00 +0.025 A ATOM 39 C LIG 1 7.008 -1.008 -1.278 0.00 0.00 +0.056 A ATOM 40 C LIG 1 7.665 -0.157 -0.377 0.00 0.00 +0.012 A ATOM 41 C LIG 1 6.978 0.888 0.243 0.00 0.00 +0.001 A ATOM 42 C LIG 1 5.625 1.097 -0.028 0.00 0.00 +0.013 A BRANCH 39 43 ATOM 43 C LIG 1 7.753 -2.121 -1.973 0.00 0.00 +0.417 C ATOM 44 F LIG 1 8.813 -2.584 -1.251 0.00 0.00 -0.166 F ATOM 45 F LIG 1 6.975 -3.209 -2.226 0.00 0.00 -0.166 F ATOM 46 F LIG 1 8.261 -1.732 -3.174 0.00 0.00 -0.166 F ENDBRANCH 39 43 ENDBRANCH 35 37 ENDBRANCH 7 33 BRANCH 1 48 ATOM 47 C LIG 1 -1.185 2.581 3.109 0.00 0.00 +0.025 C ATOM 48 C LIG 1 -1.109 3.283 1.758 0.00 0.00 +0.112 C ENDBRANCH 1 48 TORSDOF 9