REMARK Name = BDB026234 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.515 2.021 -0.159 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.041 0.725 -0.250 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.399 0.556 -0.527 0.00 0.00 +0.038 A ATOM 4 C LIG 1 2.252 1.664 -0.723 0.00 0.00 +0.038 A ATOM 5 C LIG 1 1.675 2.939 -0.617 0.00 0.00 +0.134 A ATOM 6 F LIG 1 2.425 4.043 -0.764 0.00 0.00 -0.205 F ATOM 7 C LIG 1 0.318 3.123 -0.342 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -4.261 4.628 -0.401 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.148 3.100 -0.536 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.583 2.358 0.663 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -5.976 2.557 1.034 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.671 2.537 1.810 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -2.177 2.739 1.441 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -1.892 2.134 0.130 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -2.701 2.691 -0.982 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 3.688 1.457 -1.008 0.00 0.00 +0.079 A ATOM 17 N LIG 1 4.216 0.325 -0.490 0.00 0.00 -0.214 NA ATOM 18 C LIG 1 5.508 0.035 -0.710 0.00 0.00 +0.218 A ATOM 19 N LIG 1 6.308 0.841 -1.421 0.00 0.00 -0.223 NA ATOM 20 C LIG 1 5.768 1.961 -1.930 0.00 0.00 +0.116 A ATOM 21 C LIG 1 4.455 2.318 -1.759 0.00 0.00 +0.048 A BRANCH 18 22 ATOM 22 N LIG 1 6.026 -1.121 -0.158 0.00 0.00 -0.295 N ATOM 23 C LIG 1 5.050 -2.099 0.339 0.00 0.00 +0.136 C ATOM 24 C LIG 1 5.787 -3.345 0.852 0.00 0.00 +0.179 C ATOM 25 O LIG 1 6.586 -4.000 -0.148 0.00 0.00 -0.377 OA ATOM 26 C LIG 1 7.047 -3.113 -1.180 0.00 0.00 +0.179 C ATOM 27 C LIG 1 7.271 -1.669 -0.703 0.00 0.00 +0.136 C ENDBRANCH 18 22 ENDBRANCH 4 16 BRANCH 2 28 ATOM 28 N LIG 1 -0.869 -0.330 -0.032 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -1.807 0.023 0.165 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -0.636 -1.679 -0.057 0.00 0.00 +0.250 C ATOM 31 O LIG 1 0.411 -2.257 -0.320 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -1.867 -2.469 0.230 0.00 0.00 +0.065 A ATOM 33 C LIG 1 -2.530 -2.495 1.524 0.00 0.00 +0.073 A ATOM 34 C LIG 1 -3.644 -3.237 1.668 0.00 0.00 +0.083 A ATOM 35 C LIG 1 -4.204 -4.025 0.538 0.00 0.00 +0.252 A ATOM 36 O LIG 1 -5.235 -4.666 0.716 0.00 0.00 -0.268 OA ATOM 37 N LIG 1 -3.487 -3.969 -0.653 0.00 0.00 -0.318 N ATOM 38 C LIG 1 -3.952 -4.731 -1.802 0.00 0.00 +0.152 C ATOM 39 C LIG 1 -2.342 -3.201 -0.790 0.00 0.00 +0.102 A BRANCH 33 40 ATOM 40 C LIG 1 -1.931 -1.737 2.667 0.00 0.00 +0.418 C ATOM 41 F LIG 1 -0.614 -2.005 2.839 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -2.054 -0.396 2.501 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -2.538 -2.026 3.850 0.00 0.00 -0.166 F ENDBRANCH 33 40 ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 6