REMARK Name = BDB026074 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.459 -0.712 0.156 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.061 0.597 -0.212 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.265 0.862 -0.565 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.223 -0.166 -0.560 0.00 0.00 +0.016 A ATOM 5 C LIG 1 0.814 -1.455 -0.196 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.689 -2.472 -0.200 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.505 -1.732 0.157 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -5.803 -2.482 -1.369 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -5.042 -1.799 -0.228 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.315 -2.402 1.113 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.046 -3.840 1.160 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.547 -1.628 2.136 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.770 -2.127 3.568 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.023 -1.515 1.832 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.823 -0.927 0.486 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.527 -1.691 -0.574 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.625 0.131 -0.926 0.00 0.00 -0.024 C ATOM 18 C LIG 1 3.690 -0.227 0.088 0.00 0.00 +0.146 C ATOM 19 N LIG 1 5.042 0.010 -0.411 0.00 0.00 -0.263 N ATOM 20 C LIG 1 6.082 -0.524 0.330 0.00 0.00 +0.404 C ATOM 21 O LIG 1 5.929 -1.288 1.276 0.00 0.00 -0.226 OA ATOM 22 C LIG 1 5.234 1.125 -1.335 0.00 0.00 +0.115 C ATOM 23 C LIG 1 4.290 1.037 -2.533 0.00 0.00 +0.046 C ATOM 24 C LIG 1 2.893 0.683 -2.124 0.00 0.00 -0.020 C BRANCH 20 25 ATOM 25 O LIG 1 7.306 -0.111 -0.105 0.00 0.00 -0.439 OA BRANCH 25 26 ATOM 26 C LIG 1 8.450 -0.624 0.625 0.00 0.00 +0.158 C ATOM 27 C LIG 1 8.628 -2.157 0.715 0.00 0.00 +0.210 C ATOM 28 O LIG 1 9.980 -2.072 0.195 0.00 0.00 -0.372 OA ATOM 29 C LIG 1 9.747 -0.702 -0.210 0.00 0.00 +0.210 C ATOM 30 C LIG 1 8.649 0.143 1.928 0.00 0.00 +0.061 C ENDBRANCH 25 26 ENDBRANCH 20 25 ENDBRANCH 4 17 BRANCH 2 31 ATOM 31 N LIG 1 -2.085 1.568 -0.183 0.00 0.00 -0.280 N ATOM 32 H LIG 1 -2.975 1.165 0.108 0.00 0.00 +0.155 HD ATOM 33 C LIG 1 -1.993 2.909 -0.456 0.00 0.00 +0.250 C ATOM 34 O LIG 1 -0.993 3.541 -0.770 0.00 0.00 -0.270 OA BRANCH 33 35 ATOM 35 C LIG 1 -3.291 3.620 -0.274 0.00 0.00 +0.065 A ATOM 36 C LIG 1 -4.463 3.416 -1.120 0.00 0.00 +0.073 A ATOM 37 C LIG 1 -5.581 4.128 -0.875 0.00 0.00 +0.083 A ATOM 38 C LIG 1 -5.629 5.108 0.239 0.00 0.00 +0.249 A ATOM 39 O LIG 1 -6.644 5.747 0.476 0.00 0.00 -0.268 OA ATOM 40 N LIG 1 -4.472 5.239 0.965 0.00 0.00 -0.328 N ATOM 41 H LIG 1 -4.497 5.922 1.715 0.00 0.00 +0.168 HD ATOM 42 C LIG 1 -3.326 4.525 0.718 0.00 0.00 +0.099 A BRANCH 36 43 ATOM 43 C LIG 1 -4.378 2.449 -2.258 0.00 0.00 +0.418 C ATOM 44 F LIG 1 -3.286 2.646 -3.035 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -4.335 1.167 -1.814 0.00 0.00 -0.166 F ATOM 46 F LIG 1 -5.456 2.526 -3.082 0.00 0.00 -0.166 F ENDBRANCH 36 43 ENDBRANCH 33 35 ENDBRANCH 2 31 TORSDOF 7