REMARK Name = BDB057916 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.122 -3.454 -2.827 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -0.500 -2.101 -2.785 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.185 -0.850 -2.688 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.777 0.162 -2.682 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.422 1.521 -2.605 0.00 0.00 +0.027 A ATOM 6 C LIG 1 0.934 1.850 -2.530 0.00 0.00 +0.015 A ATOM 7 C LIG 1 1.914 0.858 -2.520 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -2.015 -0.454 -2.762 0.00 0.00 -0.339 N ATOM 9 C LIG 1 1.550 -0.494 -2.614 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -1.859 -1.826 -2.836 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -3.009 -2.771 -2.936 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 3.340 1.276 -2.431 0.00 0.00 +0.245 C ATOM 13 N LIG 1 4.198 0.388 -1.821 0.00 0.00 -0.297 N ATOM 14 H LIG 1 3.805 -0.375 -1.285 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 3.694 2.369 -2.856 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 5.595 0.751 -1.528 0.00 0.00 +0.208 C BRANCH 16 17 ATOM 17 C LIG 1 5.672 1.229 -0.081 0.00 0.00 -0.018 A ATOM 18 C LIG 1 5.830 0.344 0.999 0.00 0.00 +0.009 A ATOM 19 C LIG 1 5.871 0.809 2.326 0.00 0.00 -0.044 A ATOM 20 C LIG 1 5.736 2.183 2.562 0.00 0.00 +0.004 A ATOM 21 C LIG 1 5.556 3.071 1.502 0.00 0.00 +0.001 A ATOM 22 C LIG 1 5.519 2.598 0.193 0.00 0.00 +0.006 A BRANCH 19 23 ATOM 23 C LIG 1 6.053 -0.141 3.498 0.00 0.00 +0.013 C ATOM 24 C LIG 1 7.389 -0.884 3.420 0.00 0.00 +0.012 C ATOM 25 C LIG 1 4.886 -1.125 3.609 0.00 0.00 +0.012 C ENDBRANCH 19 23 ENDBRANCH 16 17 BRANCH 16 26 ATOM 26 C LIG 1 6.595 -0.371 -1.894 0.00 0.00 +0.412 C ATOM 27 F LIG 1 6.617 -0.585 -3.233 0.00 0.00 -0.168 F ATOM 28 F LIG 1 7.860 -0.076 -1.519 0.00 0.00 -0.168 F ATOM 29 F LIG 1 6.259 -1.553 -1.317 0.00 0.00 -0.168 F ENDBRANCH 16 26 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 30 ATOM 30 C LIG 1 -3.294 0.257 -2.820 0.00 0.00 +0.157 C BRANCH 30 31 ATOM 31 C LIG 1 -4.067 0.189 -1.524 0.00 0.00 -0.028 A ATOM 32 C LIG 1 -5.409 -0.216 -1.530 0.00 0.00 +0.006 A ATOM 33 C LIG 1 -6.147 -0.261 -0.342 0.00 0.00 +0.009 A ATOM 34 C LIG 1 -5.568 0.109 0.880 0.00 0.00 -0.017 A ATOM 35 C LIG 1 -4.229 0.523 0.881 0.00 0.00 +0.009 A ATOM 36 C LIG 1 -3.490 0.569 -0.305 0.00 0.00 +0.006 A BRANCH 34 37 ATOM 37 C LIG 1 -6.341 0.049 2.131 0.00 0.00 -0.004 A ATOM 38 C LIG 1 -7.452 0.875 2.397 0.00 0.00 +0.067 A ATOM 39 C LIG 1 -8.204 0.719 3.571 0.00 0.00 +0.015 A ATOM 40 C LIG 1 -7.839 -0.240 4.514 0.00 0.00 +0.001 A ATOM 41 C LIG 1 -6.730 -1.049 4.283 0.00 0.00 +0.001 A ATOM 42 C LIG 1 -5.992 -0.908 3.104 0.00 0.00 +0.009 A BRANCH 38 43 ATOM 43 C LIG 1 -7.898 1.931 1.468 0.00 0.00 +0.337 C ATOM 44 O LIG 1 -9.037 2.093 1.071 0.00 0.00 -0.245 OA BRANCH 43 45 ATOM 45 O LIG 1 -6.905 2.784 1.168 0.00 0.00 -0.477 OA ATOM 46 H LIG 1 -7.318 3.441 0.572 0.00 0.00 +0.295 HD ENDBRANCH 43 45 ENDBRANCH 38 43 ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 8 30 TORSDOF 10