REMARK Name = BDB026271 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.935 -0.984 0.445 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.234 -0.008 -0.304 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.115 -0.191 -0.622 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.799 -1.335 -0.186 0.00 0.00 +0.016 A ATOM 5 C LIG 1 1.097 -2.288 0.564 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.717 -3.390 1.014 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.251 -2.124 0.876 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -3.962 -1.600 4.094 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.671 -1.789 2.599 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.926 -1.734 1.802 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.761 -2.920 2.003 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.667 -1.518 0.351 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -5.223 -0.140 -0.025 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.180 -1.656 -0.073 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.307 -0.762 0.720 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -2.640 -0.705 2.165 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.229 -1.518 -0.513 0.00 0.00 -0.024 C ATOM 18 C LIG 1 4.187 -0.429 -0.061 0.00 0.00 +0.142 C ATOM 19 N LIG 1 5.502 -0.569 -0.724 0.00 0.00 -0.310 N ATOM 20 C LIG 1 6.014 -1.949 -0.734 0.00 0.00 +0.111 C ATOM 21 C LIG 1 5.064 -2.842 -1.544 0.00 0.00 +0.046 C ATOM 22 C LIG 1 3.622 -2.605 -1.205 0.00 0.00 -0.020 C BRANCH 19 23 ATOM 23 C LIG 1 6.436 0.377 -0.254 0.00 0.00 +0.126 A ATOM 24 N LIG 1 7.555 -0.037 0.367 0.00 0.00 -0.204 NA ATOM 25 C LIG 1 8.416 0.912 0.781 0.00 0.00 +0.234 A ATOM 26 N LIG 1 8.266 2.240 0.629 0.00 0.00 -0.227 NA ATOM 27 C LIG 1 7.150 2.616 -0.012 0.00 0.00 +0.117 A ATOM 28 C LIG 1 6.206 1.726 -0.472 0.00 0.00 +0.063 A BRANCH 25 29 ATOM 29 C LIG 1 9.604 0.459 1.455 0.00 0.00 +0.140 C ATOM 30 N LIG 1 10.563 0.091 2.003 0.00 0.00 -0.188 NA ENDBRANCH 25 29 ENDBRANCH 19 23 ENDBRANCH 4 17 BRANCH 2 31 ATOM 31 N LIG 1 -0.990 1.120 -0.683 0.00 0.00 -0.280 N ATOM 32 H LIG 1 -1.960 1.043 -0.377 0.00 0.00 +0.155 HD ATOM 33 C LIG 1 -0.557 2.260 -1.309 0.00 0.00 +0.250 C ATOM 34 O LIG 1 0.588 2.548 -1.631 0.00 0.00 -0.270 OA BRANCH 33 35 ATOM 35 C LIG 1 -1.660 3.237 -1.531 0.00 0.00 +0.065 A ATOM 36 C LIG 1 -2.746 3.034 -2.483 0.00 0.00 +0.073 A ATOM 37 C LIG 1 -3.695 3.983 -2.611 0.00 0.00 +0.083 A ATOM 38 C LIG 1 -3.641 5.223 -1.796 0.00 0.00 +0.249 A ATOM 39 O LIG 1 -4.505 6.083 -1.895 0.00 0.00 -0.268 OA ATOM 40 N LIG 1 -2.572 5.328 -0.943 0.00 0.00 -0.328 N ATOM 41 H LIG 1 -2.526 6.182 -0.398 0.00 0.00 +0.168 HD ATOM 42 C LIG 1 -1.598 4.369 -0.811 0.00 0.00 +0.099 A BRANCH 36 43 ATOM 43 C LIG 1 -2.753 1.791 -3.318 0.00 0.00 +0.418 C ATOM 44 F LIG 1 -1.572 1.576 -3.944 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -3.704 1.829 -4.290 0.00 0.00 -0.166 F ATOM 46 F LIG 1 -3.023 0.692 -2.570 0.00 0.00 -0.166 F ENDBRANCH 36 43 ENDBRANCH 33 35 ENDBRANCH 2 31 TORSDOF 7