REMARK Name = BDB058813 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.460 1.496 -1.092 0.00 0.00 +0.122 A ATOM 2 C LIG 1 -0.802 1.539 -1.688 0.00 0.00 +0.057 A ATOM 3 C LIG 1 -1.830 0.688 -1.260 0.00 0.00 +0.021 A ATOM 4 C LIG 1 -1.592 -0.228 -0.219 0.00 0.00 +0.128 A ATOM 5 C LIG 1 -0.323 -0.281 0.361 0.00 0.00 +0.050 A ATOM 6 C LIG 1 0.697 0.577 -0.072 0.00 0.00 +0.049 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -3.138 0.784 -1.926 0.00 0.00 +0.022 C ATOM 8 C LIG 1 -4.187 1.495 -1.465 0.00 0.00 +0.037 C BRANCH 8 9 ATOM 9 C LIG 1 -5.448 1.522 -2.245 0.00 0.00 +0.333 C ATOM 10 O LIG 1 -6.364 2.312 -2.092 0.00 0.00 -0.245 OA BRANCH 9 11 ATOM 11 O LIG 1 -5.530 0.562 -3.183 0.00 0.00 -0.477 OA ATOM 12 H LIG 1 -6.411 0.713 -3.583 0.00 0.00 +0.295 HD ENDBRANCH 9 11 ENDBRANCH 8 9 BRANCH 8 13 ATOM 13 C LIG 1 -4.191 2.340 -0.213 0.00 0.00 +0.046 C BRANCH 13 14 ATOM 14 C LIG 1 -4.862 1.693 0.969 0.00 0.00 -0.006 C ATOM 15 C LIG 1 -5.318 2.537 2.132 0.00 0.00 +0.004 C ATOM 16 C LIG 1 -6.333 1.889 1.232 0.00 0.00 +0.004 C ENDBRANCH 13 14 ENDBRANCH 8 13 ENDBRANCH 3 7 BRANCH 1 17 ATOM 17 O LIG 1 1.366 2.376 -1.615 0.00 0.00 -0.487 OA BRANCH 17 18 ATOM 18 C LIG 1 2.595 2.586 -0.915 0.00 0.00 +0.264 C BRANCH 18 24 ATOM 19 C LIG 1 6.722 -0.012 0.248 0.00 0.00 +0.131 A ATOM 20 C LIG 1 5.705 0.349 -0.663 0.00 0.00 +0.042 A ATOM 21 C LIG 1 5.741 -0.234 -1.944 0.00 0.00 +0.075 A ATOM 22 C LIG 1 4.758 0.109 -2.861 0.00 0.00 +0.029 A ATOM 23 C LIG 1 3.736 1.010 -2.548 0.00 0.00 +0.009 A ATOM 24 C LIG 1 3.670 1.587 -1.280 0.00 0.00 -0.010 A ATOM 25 N LIG 1 6.691 -1.106 -2.317 0.00 0.00 -0.242 NA ATOM 26 C LIG 1 7.661 -1.450 -1.427 0.00 0.00 +0.148 A ATOM 27 C LIG 1 4.667 1.260 -0.351 0.00 0.00 +0.020 A ATOM 28 C LIG 1 7.705 -0.917 -0.141 0.00 0.00 +0.078 A BRANCH 26 29 ATOM 29 C LIG 1 8.749 -2.429 -1.848 0.00 0.00 +0.434 C ATOM 30 F LIG 1 8.938 -3.421 -0.927 0.00 0.00 -0.164 F ATOM 31 F LIG 1 8.515 -3.064 -3.030 0.00 0.00 -0.164 F ATOM 32 F LIG 1 9.966 -1.824 -1.981 0.00 0.00 -0.164 F ENDBRANCH 26 29 BRANCH 19 34 ATOM 33 C LIG 1 7.692 0.269 2.420 0.00 0.00 +0.277 C ATOM 34 O LIG 1 6.660 0.574 1.490 0.00 0.00 -0.494 OA ENDBRANCH 19 34 ENDBRANCH 18 24 ENDBRANCH 17 18 ENDBRANCH 1 17 BRANCH 4 35 ATOM 35 O LIG 1 -2.646 -1.027 0.135 0.00 0.00 -0.487 OA BRANCH 35 36 ATOM 36 C LIG 1 -2.521 -1.814 1.317 0.00 0.00 +0.264 C BRANCH 36 37 ATOM 37 C LIG 1 -3.857 -2.440 1.660 0.00 0.00 -0.010 A ATOM 38 C LIG 1 -4.174 -2.716 3.001 0.00 0.00 +0.010 A ATOM 39 C LIG 1 -5.390 -3.315 3.333 0.00 0.00 +0.039 A ATOM 40 C LIG 1 -6.289 -3.648 2.327 0.00 0.00 +0.123 A ATOM 41 F LIG 1 -7.455 -4.223 2.648 0.00 0.00 -0.205 F ATOM 42 C LIG 1 -5.992 -3.397 0.994 0.00 0.00 +0.039 A ATOM 43 C LIG 1 -4.776 -2.800 0.659 0.00 0.00 +0.010 A ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 4 35 TORSDOF 13