REMARK Name = BDB054060 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.517 -0.958 0.591 0.00 0.00 -0.241 N ATOM 2 C LIG 1 -1.110 -2.295 0.801 0.00 0.00 +0.077 A ATOM 3 C LIG 1 0.159 -2.459 0.230 0.00 0.00 +0.076 A ATOM 4 C LIG 1 0.853 -3.654 0.359 0.00 0.00 +0.040 A ATOM 5 C LIG 1 0.228 -4.739 1.000 0.00 0.00 +0.057 A ATOM 6 C LIG 1 -1.071 -4.579 1.524 0.00 0.00 +0.014 A ATOM 7 N LIG 1 0.541 -1.232 -0.350 0.00 0.00 -0.260 N ATOM 8 C LIG 1 -1.745 -3.356 1.428 0.00 0.00 +0.029 A ATOM 9 C LIG 1 -0.482 -0.265 -0.090 0.00 0.00 +0.340 A ATOM 10 O LIG 1 -0.447 0.917 -0.398 0.00 0.00 -0.246 OA ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -5.239 2.928 0.548 0.00 0.00 +0.124 A ATOM 12 C LIG 1 -5.412 1.923 1.500 0.00 0.00 +0.095 A ATOM 13 C LIG 1 -4.461 0.900 1.507 0.00 0.00 +0.173 A ATOM 14 C LIG 1 -3.362 0.812 0.667 0.00 0.00 +0.066 A ATOM 15 C LIG 1 -2.700 -0.402 1.076 0.00 0.00 +0.192 A ATOM 16 N LIG 1 -3.415 -0.987 2.055 0.00 0.00 -0.059 NA ATOM 17 C LIG 1 -3.226 1.824 -0.303 0.00 0.00 +0.019 A ATOM 18 O LIG 1 -4.480 -0.170 2.333 0.00 0.00 -0.352 OA ATOM 19 C LIG 1 -4.163 2.870 -0.342 0.00 0.00 +0.046 A BRANCH 11 21 ATOM 20 C LIG 1 -7.152 4.141 1.276 0.00 0.00 +0.277 C ATOM 21 O LIG 1 -6.059 4.011 0.376 0.00 0.00 -0.495 OA ENDBRANCH 11 21 ENDBRANCH 1 15 BRANCH 7 22 ATOM 22 C LIG 1 1.739 -0.993 -1.061 0.00 0.00 +0.052 A ATOM 23 C LIG 1 2.369 0.260 -0.985 0.00 0.00 +0.034 A ATOM 24 C LIG 1 3.561 0.547 -1.685 0.00 0.00 +0.007 A ATOM 25 C LIG 1 4.092 -0.450 -2.514 0.00 0.00 +0.008 A ATOM 26 C LIG 1 3.469 -1.692 -2.621 0.00 0.00 +0.002 A ATOM 27 C LIG 1 2.302 -1.959 -1.903 0.00 0.00 +0.026 A BRANCH 24 28 ATOM 28 C LIG 1 4.209 1.924 -1.581 0.00 0.00 +0.214 C ATOM 29 C LIG 1 5.742 1.901 -1.454 0.00 0.00 +0.290 C ATOM 30 O LIG 1 6.522 1.533 -2.322 0.00 0.00 -0.269 OA ATOM 31 N LIG 1 6.120 2.387 -0.229 0.00 0.00 -0.107 NA ATOM 32 C LIG 1 5.013 2.725 0.306 0.00 0.00 +0.381 C ATOM 33 O LIG 1 3.849 2.560 -0.341 0.00 0.00 -0.431 OA ATOM 34 C LIG 1 3.785 2.833 -2.731 0.00 0.00 +0.071 C BRANCH 32 35 ATOM 35 O LIG 1 4.899 3.265 1.517 0.00 0.00 -0.467 OA ATOM 36 H LIG 1 5.789 3.342 1.899 0.00 0.00 +0.297 HD ENDBRANCH 32 35 ENDBRANCH 24 28 ENDBRANCH 7 22 BRANCH 5 37 ATOM 37 C LIG 1 0.964 -6.049 1.162 0.00 0.00 +0.417 C ATOM 38 F LIG 1 0.131 -7.120 1.280 0.00 0.00 -0.166 F ATOM 39 F LIG 1 1.757 -6.063 2.267 0.00 0.00 -0.166 F ATOM 40 F LIG 1 1.780 -6.328 0.108 0.00 0.00 -0.166 F ENDBRANCH 5 37 TORSDOF 6