REMARK Name = BDB026154 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.200 -1.075 0.399 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.612 0.003 -0.307 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.761 0.014 -0.569 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.579 -1.040 -0.133 0.00 0.00 +0.015 A ATOM 5 C LIG 1 0.983 -2.099 0.564 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.726 -3.125 1.007 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.385 -2.123 0.830 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -3.638 -4.059 1.510 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.348 -2.894 0.804 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.124 -2.139 1.819 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.489 -1.886 1.351 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.469 -0.874 2.245 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.806 -0.601 3.714 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -2.928 -0.875 2.070 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.592 -1.040 0.643 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.368 -2.071 -0.081 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.029 -1.015 -0.405 0.00 0.00 -0.038 C ATOM 18 C LIG 1 3.825 0.181 0.036 0.00 0.00 +0.054 C ATOM 19 C LIG 1 5.147 0.312 -0.724 0.00 0.00 +0.113 C ATOM 20 N LIG 1 5.853 -0.964 -0.860 0.00 0.00 -0.292 N ATOM 21 C LIG 1 7.249 -1.094 -0.931 0.00 0.00 +0.267 C ATOM 22 O LIG 1 7.793 -2.195 -1.055 0.00 0.00 -0.268 OA ATOM 23 C LIG 1 5.093 -2.103 -1.362 0.00 0.00 +0.135 C ATOM 24 C LIG 1 3.630 -2.029 -1.052 0.00 0.00 -0.004 C BRANCH 21 25 ATOM 25 C LIG 1 8.145 0.095 -0.861 0.00 0.00 +0.144 A ATOM 26 N LIG 1 7.750 1.265 -1.436 0.00 0.00 -0.247 NA ATOM 27 C LIG 1 8.652 2.272 -1.375 0.00 0.00 +0.131 A ATOM 28 C LIG 1 9.894 2.130 -0.775 0.00 0.00 +0.130 A ATOM 29 N LIG 1 10.297 0.968 -0.213 0.00 0.00 -0.259 NA ATOM 30 C LIG 1 9.399 -0.050 -0.281 0.00 0.00 +0.143 A ENDBRANCH 21 25 ENDBRANCH 4 17 BRANCH 2 31 ATOM 31 N LIG 1 -1.505 1.020 -0.708 0.00 0.00 -0.280 N ATOM 32 H LIG 1 -2.460 0.814 -0.418 0.00 0.00 +0.155 HD ATOM 33 C LIG 1 -1.229 2.164 -1.411 0.00 0.00 +0.250 C ATOM 34 O LIG 1 -0.146 2.531 -1.848 0.00 0.00 -0.270 OA BRANCH 33 35 ATOM 35 C LIG 1 -2.448 2.980 -1.685 0.00 0.00 +0.065 A ATOM 36 C LIG 1 -3.241 3.644 -0.656 0.00 0.00 +0.073 A ATOM 37 C LIG 1 -4.314 4.375 -1.023 0.00 0.00 +0.083 A ATOM 38 C LIG 1 -4.692 4.504 -2.452 0.00 0.00 +0.249 A ATOM 39 O LIG 1 -5.674 5.150 -2.791 0.00 0.00 -0.268 OA ATOM 40 N LIG 1 -3.874 3.857 -3.343 0.00 0.00 -0.328 N ATOM 41 H LIG 1 -4.119 3.960 -4.322 0.00 0.00 +0.168 HD ATOM 42 C LIG 1 -2.775 3.119 -2.980 0.00 0.00 +0.099 A BRANCH 36 43 ATOM 43 C LIG 1 -2.824 3.526 0.776 0.00 0.00 +0.418 C ATOM 44 F LIG 1 -1.510 3.793 0.965 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -3.511 4.374 1.586 0.00 0.00 -0.166 F ATOM 46 F LIG 1 -3.059 2.277 1.253 0.00 0.00 -0.166 F ENDBRANCH 36 43 ENDBRANCH 33 35 ENDBRANCH 2 31 TORSDOF 6