REMARK Name = BDB025787 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.696 0.705 0.702 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.628 0.225 0.853 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -1.623 1.032 1.414 0.00 0.00 +0.036 A ATOM 4 C LIG 1 -1.332 2.338 1.848 0.00 0.00 +0.021 A ATOM 5 C LIG 1 -0.013 2.793 1.695 0.00 0.00 +0.133 A ATOM 6 F LIG 1 0.323 4.030 2.094 0.00 0.00 -0.205 F ATOM 7 C LIG 1 0.988 2.000 1.132 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 3.368 -2.591 -0.070 0.00 0.00 +0.026 C ATOM 9 C LIG 1 3.906 -1.146 -0.109 0.00 0.00 +0.071 C ATOM 10 N LIG 1 4.160 -0.603 -1.472 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 4.591 -1.587 -2.450 0.00 0.00 +0.105 C ATOM 12 C LIG 1 3.138 0.381 -1.914 0.00 0.00 +0.071 C ATOM 13 C LIG 1 3.101 0.659 -3.423 0.00 0.00 +0.026 C ATOM 14 C LIG 1 1.699 0.080 -1.404 0.00 0.00 +0.123 C ATOM 15 N LIG 1 1.645 -0.130 0.070 0.00 0.00 -0.325 N ATOM 16 C LIG 1 2.968 -0.226 0.725 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 -2.379 3.190 2.436 0.00 0.00 +0.004 A ATOM 18 C LIG 1 -2.590 4.510 2.011 0.00 0.00 +0.024 A ATOM 19 C LIG 1 -3.600 5.297 2.582 0.00 0.00 +0.073 A ATOM 20 C LIG 1 -4.368 4.729 3.584 0.00 0.00 +0.123 A ATOM 21 N LIG 1 -4.205 3.464 4.030 0.00 0.00 -0.262 NA ATOM 22 C LIG 1 -3.223 2.732 3.448 0.00 0.00 +0.119 A BRANCH 19 23 ATOM 23 C LIG 1 -3.841 6.715 2.171 0.00 0.00 +0.419 C ATOM 24 F LIG 1 -3.290 7.606 3.038 0.00 0.00 -0.166 F ATOM 25 F LIG 1 -5.163 7.030 2.104 0.00 0.00 -0.166 F ATOM 26 F LIG 1 -3.327 7.019 0.948 0.00 0.00 -0.166 F ENDBRANCH 19 23 ENDBRANCH 4 17 BRANCH 2 27 ATOM 27 N LIG 1 -0.839 -1.100 0.420 0.00 0.00 -0.280 N ATOM 28 H LIG 1 0.020 -1.529 0.082 0.00 0.00 +0.155 HD ATOM 29 C LIG 1 -2.007 -1.814 0.394 0.00 0.00 +0.250 C ATOM 30 O LIG 1 -3.122 -1.455 0.737 0.00 0.00 -0.270 OA BRANCH 29 31 ATOM 31 C LIG 1 -1.801 -3.186 -0.144 0.00 0.00 +0.065 A ATOM 32 C LIG 1 -1.932 -3.505 -1.562 0.00 0.00 +0.073 A ATOM 33 C LIG 1 -1.729 -4.772 -1.972 0.00 0.00 +0.083 A ATOM 34 C LIG 1 -1.365 -5.832 -0.996 0.00 0.00 +0.249 A ATOM 35 O LIG 1 -1.168 -6.984 -1.357 0.00 0.00 -0.268 OA ATOM 36 N LIG 1 -1.247 -5.426 0.313 0.00 0.00 -0.328 N ATOM 37 H LIG 1 -0.999 -6.153 0.978 0.00 0.00 +0.168 HD ATOM 38 C LIG 1 -1.466 -4.140 0.740 0.00 0.00 +0.099 A BRANCH 32 39 ATOM 39 C LIG 1 -2.268 -2.399 -2.514 0.00 0.00 +0.418 C ATOM 40 F LIG 1 -2.321 -2.832 -3.802 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -3.463 -1.825 -2.250 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -1.328 -1.417 -2.487 0.00 0.00 -0.166 F ENDBRANCH 32 39 ENDBRANCH 29 31 ENDBRANCH 2 27 TORSDOF 6