REMARK Name = BDB026056 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.856 -1.044 0.054 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.476 0.283 -0.259 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -0.134 0.671 -0.193 0.00 0.00 +0.036 A ATOM 4 C LIG 1 0.863 -0.243 0.193 0.00 0.00 +0.015 A ATOM 5 C LIG 1 0.467 -1.556 0.490 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.371 -2.474 0.866 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.867 -1.956 0.428 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -5.399 -3.858 -1.980 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -5.070 -2.751 -0.974 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.715 -2.953 0.360 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.399 -4.250 0.962 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -5.349 -1.796 1.234 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -5.981 -1.862 2.628 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.815 -1.552 1.345 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -3.234 -1.377 -0.010 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.530 -2.523 -0.902 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.284 0.174 0.248 0.00 0.00 -0.038 C ATOM 18 C LIG 1 3.333 -0.778 -0.270 0.00 0.00 +0.054 C ATOM 19 C LIG 1 4.632 -0.054 -0.625 0.00 0.00 +0.116 C ATOM 20 N LIG 1 5.035 0.867 0.433 0.00 0.00 -0.263 N ATOM 21 C LIG 1 6.364 1.118 0.736 0.00 0.00 +0.404 C ATOM 22 O LIG 1 6.734 2.039 1.455 0.00 0.00 -0.226 OA ATOM 23 C LIG 1 4.066 1.863 0.857 0.00 0.00 +0.138 C ATOM 24 C LIG 1 2.652 1.367 0.754 0.00 0.00 -0.004 C BRANCH 21 25 ATOM 25 O LIG 1 7.212 0.232 0.143 0.00 0.00 -0.444 OA BRANCH 25 26 ATOM 26 C LIG 1 8.627 0.393 0.415 0.00 0.00 +0.112 C ATOM 27 C LIG 1 9.272 1.750 -0.005 0.00 0.00 +0.048 C ATOM 28 C LIG 1 10.451 0.965 -0.602 0.00 0.00 +0.008 C ATOM 29 C LIG 1 9.527 -0.261 -0.681 0.00 0.00 +0.048 C ATOM 30 C LIG 1 8.962 -0.113 1.818 0.00 0.00 +0.056 C ENDBRANCH 25 26 ENDBRANCH 21 25 ENDBRANCH 4 17 BRANCH 2 31 ATOM 31 N LIG 1 -2.532 1.140 -0.637 0.00 0.00 -0.280 N ATOM 32 H LIG 1 -3.429 0.654 -0.628 0.00 0.00 +0.155 HD ATOM 33 C LIG 1 -2.467 2.456 -1.014 0.00 0.00 +0.250 C ATOM 34 O LIG 1 -1.469 3.158 -1.112 0.00 0.00 -0.270 OA BRANCH 33 35 ATOM 35 C LIG 1 -3.800 3.013 -1.384 0.00 0.00 +0.065 A ATOM 36 C LIG 1 -4.890 3.228 -0.438 0.00 0.00 +0.073 A ATOM 37 C LIG 1 -6.050 3.754 -0.881 0.00 0.00 +0.083 A ATOM 38 C LIG 1 -6.225 4.111 -2.311 0.00 0.00 +0.249 A ATOM 39 O LIG 1 -7.279 4.575 -2.723 0.00 0.00 -0.268 OA ATOM 40 N LIG 1 -5.137 3.887 -3.116 0.00 0.00 -0.328 N ATOM 41 H LIG 1 -5.248 4.149 -4.090 0.00 0.00 +0.168 HD ATOM 42 C LIG 1 -3.950 3.360 -2.673 0.00 0.00 +0.099 A BRANCH 36 43 ATOM 43 C LIG 1 -4.677 2.893 1.004 0.00 0.00 +0.418 C ATOM 44 F LIG 1 -5.686 3.346 1.794 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -4.623 1.550 1.196 0.00 0.00 -0.166 F ATOM 46 F LIG 1 -3.533 3.419 1.502 0.00 0.00 -0.166 F ENDBRANCH 36 43 ENDBRANCH 33 35 ENDBRANCH 2 31 TORSDOF 7