REMARK Name = BDB025737 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.724 0.894 -0.200 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.628 0.927 0.220 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -1.362 2.116 0.164 0.00 0.00 +0.036 A ATOM 4 C LIG 1 -0.776 3.308 -0.302 0.00 0.00 +0.021 A ATOM 5 C LIG 1 0.566 3.252 -0.711 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.179 4.359 -1.157 0.00 0.00 -0.205 F ATOM 7 C LIG 1 1.308 2.072 -0.668 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 2.454 -2.855 -2.817 0.00 0.00 +0.026 C ATOM 9 C LIG 1 2.250 -2.331 -1.387 0.00 0.00 +0.071 C ATOM 10 N LIG 1 3.513 -2.362 -0.581 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 4.007 -3.736 -0.426 0.00 0.00 +0.105 C ATOM 12 C LIG 1 3.285 -1.716 0.751 0.00 0.00 +0.071 C ATOM 13 C LIG 1 4.579 -1.595 1.571 0.00 0.00 +0.026 C ATOM 14 C LIG 1 2.677 -0.287 0.620 0.00 0.00 +0.123 C ATOM 15 N LIG 1 1.410 -0.348 -0.140 0.00 0.00 -0.325 N ATOM 16 C LIG 1 1.650 -0.897 -1.495 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 -1.549 4.560 -0.356 0.00 0.00 +0.004 A ATOM 18 C LIG 1 -1.550 5.387 -1.492 0.00 0.00 +0.034 A ATOM 19 C LIG 1 -2.295 6.570 -1.511 0.00 0.00 +0.114 A ATOM 20 C LIG 1 -3.020 6.882 -0.377 0.00 0.00 +0.230 A ATOM 21 N LIG 1 -3.063 6.135 0.740 0.00 0.00 -0.220 NA ATOM 22 C LIG 1 -2.328 4.995 0.721 0.00 0.00 +0.123 A BRANCH 19 23 ATOM 23 C LIG 1 -2.298 7.412 -2.664 0.00 0.00 +0.105 C ATOM 24 N LIG 1 -2.270 8.064 -3.625 0.00 0.00 -0.191 NA ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 O LIG 1 -3.778 8.002 -0.287 0.00 0.00 -0.492 OA ATOM 26 H LIG 1 -4.136 7.900 0.614 0.00 0.00 +0.294 HD ENDBRANCH 20 25 ENDBRANCH 4 17 BRANCH 2 27 ATOM 27 N LIG 1 -1.144 -0.302 0.684 0.00 0.00 -0.280 N ATOM 28 H LIG 1 -0.446 -1.044 0.631 0.00 0.00 +0.155 HD ATOM 29 C LIG 1 -2.384 -0.559 1.208 0.00 0.00 +0.250 C ATOM 30 O LIG 1 -3.288 0.243 1.408 0.00 0.00 -0.270 OA BRANCH 29 31 ATOM 31 C LIG 1 -2.552 -1.984 1.616 0.00 0.00 +0.065 A ATOM 32 C LIG 1 -2.562 -3.107 0.684 0.00 0.00 +0.073 A ATOM 33 C LIG 1 -2.738 -4.356 1.163 0.00 0.00 +0.083 A ATOM 34 C LIG 1 -2.916 -4.593 2.616 0.00 0.00 +0.249 A ATOM 35 O LIG 1 -3.055 -5.725 3.060 0.00 0.00 -0.268 OA ATOM 36 N LIG 1 -2.912 -3.472 3.407 0.00 0.00 -0.328 N ATOM 37 H LIG 1 -3.055 -3.630 4.399 0.00 0.00 +0.168 HD ATOM 38 C LIG 1 -2.744 -2.197 2.928 0.00 0.00 +0.099 A BRANCH 32 39 ATOM 39 C LIG 1 -2.416 -2.840 -0.781 0.00 0.00 +0.418 C ATOM 40 F LIG 1 -2.675 -3.941 -1.535 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -3.245 -1.866 -1.223 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -1.148 -2.465 -1.088 0.00 0.00 -0.166 F ENDBRANCH 32 39 ENDBRANCH 29 31 ENDBRANCH 2 27 TORSDOF 7