REMARK Name = BDB025738 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.562 -0.740 -0.311 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.885 0.500 -0.443 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.513 0.562 -0.401 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.287 -0.602 -0.244 0.00 0.00 +0.019 A ATOM 5 C LIG 1 0.600 -1.818 -0.127 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.279 -2.967 0.019 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.793 -1.893 -0.159 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.548 -1.681 3.041 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.898 -1.972 1.678 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.755 -2.833 0.806 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.040 -4.123 1.446 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.094 -3.021 -0.521 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.998 -3.771 -1.516 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.672 -1.685 -1.203 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.968 -0.738 -0.321 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.587 -0.602 1.013 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.760 -0.531 -0.209 0.00 0.00 -0.012 A ATOM 18 C LIG 1 3.475 0.201 -1.164 0.00 0.00 +0.048 A ATOM 19 C LIG 1 4.871 0.268 -1.121 0.00 0.00 +0.145 A ATOM 20 F LIG 1 5.482 0.955 -2.100 0.00 0.00 -0.204 F ATOM 21 C LIG 1 5.633 -0.377 -0.126 0.00 0.00 +0.066 A ATOM 22 C LIG 1 4.907 -1.121 0.815 0.00 0.00 +0.026 A ATOM 23 C LIG 1 3.504 -1.192 0.778 0.00 0.00 +0.010 A BRANCH 21 24 ATOM 24 N LIG 1 7.037 -0.297 -0.116 0.00 0.00 -0.323 N ATOM 25 C LIG 1 7.798 -1.226 0.744 0.00 0.00 +0.133 C ATOM 26 C LIG 1 9.297 -1.131 0.419 0.00 0.00 +0.178 C ATOM 27 O LIG 1 9.783 0.212 0.574 0.00 0.00 -0.377 OA ATOM 28 C LIG 1 9.076 1.092 -0.316 0.00 0.00 +0.178 C ATOM 29 C LIG 1 7.564 1.089 -0.038 0.00 0.00 +0.133 C ENDBRANCH 21 24 ENDBRANCH 4 17 BRANCH 2 30 ATOM 30 N LIG 1 -1.713 1.628 -0.644 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.698 1.372 -0.675 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -1.339 2.928 -0.870 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -0.206 3.386 -0.931 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -2.508 3.820 -1.109 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -3.424 4.256 -0.061 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -4.445 5.077 -0.381 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -4.640 5.534 -1.780 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -5.572 6.267 -2.082 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -3.717 5.080 -2.689 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -3.839 5.406 -3.642 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -2.671 4.251 -2.370 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -3.183 3.801 1.343 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -1.917 4.031 1.760 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -4.002 4.421 2.233 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -3.419 2.471 1.479 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 6