REMARK Name = BDB047061 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.114 -0.427 -1.339 0.00 0.00 +0.263 C ATOM 2 N LIG 1 1.136 -0.043 -0.381 0.00 0.00 -0.280 N ATOM 3 C LIG 1 1.377 0.394 0.929 0.00 0.00 +0.057 A ATOM 4 C LIG 1 0.142 0.699 1.512 0.00 0.00 +0.008 A ATOM 5 C LIG 1 0.106 1.177 2.845 0.00 0.00 +0.056 A ATOM 6 C LIG 1 1.288 1.319 3.580 0.00 0.00 +0.131 A ATOM 7 C LIG 1 2.501 0.990 2.987 0.00 0.00 +0.048 A ATOM 8 C LIG 1 -0.883 0.406 0.559 0.00 0.00 -0.014 A ATOM 9 C LIG 1 2.567 0.508 1.675 0.00 0.00 +0.030 A ATOM 10 C LIG 1 -0.247 -0.058 -0.585 0.00 0.00 +0.028 A ATOM 11 C LIG 1 -0.861 -0.474 -1.883 0.00 0.00 +0.064 C ATOM 12 O LIG 1 1.792 -1.246 -2.200 0.00 0.00 -0.267 OA ENDROOT BRANCH 1 16 ATOM 13 C LIG 1 6.133 1.026 -1.600 0.00 0.00 +0.120 A ATOM 14 C LIG 1 5.081 1.913 -1.341 0.00 0.00 +0.046 A ATOM 15 C LIG 1 3.764 1.454 -1.249 0.00 0.00 +0.017 A ATOM 16 C LIG 1 3.499 0.090 -1.399 0.00 0.00 +0.040 A ATOM 17 C LIG 1 4.544 -0.799 -1.680 0.00 0.00 +0.017 A ATOM 18 C LIG 1 5.859 -0.333 -1.772 0.00 0.00 +0.046 A BRANCH 13 20 ATOM 19 C LIG 1 8.464 0.767 -1.999 0.00 0.00 +0.277 C ATOM 20 O LIG 1 7.367 1.609 -1.663 0.00 0.00 -0.495 OA ENDBRANCH 13 20 ENDBRANCH 1 16 BRANCH 6 21 ATOM 21 O LIG 1 1.388 1.764 4.866 0.00 0.00 -0.406 OA BRANCH 21 22 ATOM 22 C LIG 1 0.203 1.766 5.658 0.00 0.00 +0.575 C ATOM 23 F LIG 1 -0.675 2.706 5.231 0.00 0.00 -0.133 F ATOM 24 F LIG 1 -0.393 0.542 5.652 0.00 0.00 -0.133 F ATOM 25 F LIG 1 0.537 2.062 6.934 0.00 0.00 -0.133 F ENDBRANCH 21 22 ENDBRANCH 6 21 BRANCH 8 26 ATOM 26 C LIG 1 -2.364 0.598 0.770 0.00 0.00 +0.076 C BRANCH 26 27 ATOM 27 C LIG 1 -3.018 -0.768 0.876 0.00 0.00 -0.001 A ATOM 28 C LIG 1 -4.201 -1.052 0.169 0.00 0.00 +0.125 A ATOM 29 C LIG 1 -4.838 -2.290 0.319 0.00 0.00 +0.046 A ATOM 30 C LIG 1 -4.295 -3.266 1.150 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -3.131 -3.000 1.862 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -2.508 -1.758 1.740 0.00 0.00 +0.007 A BRANCH 28 33 ATOM 33 O LIG 1 -4.750 -0.047 -0.589 0.00 0.00 -0.478 OA BRANCH 33 34 ATOM 34 C LIG 1 -5.154 -0.424 -1.909 0.00 0.00 +0.278 C ATOM 35 C LIG 1 -6.669 -0.314 -2.000 0.00 0.00 +0.064 C BRANCH 34 36 ATOM 36 C LIG 1 -4.531 0.539 -2.927 0.00 0.00 +0.346 C ATOM 37 O LIG 1 -3.979 1.596 -2.659 0.00 0.00 -0.247 OA BRANCH 36 38 ATOM 38 O LIG 1 -4.639 0.107 -4.213 0.00 0.00 -0.478 OA ATOM 39 H LIG 1 -5.065 -0.764 -4.323 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 28 33 ENDBRANCH 26 27 ENDBRANCH 8 26 TORSDOF 10