REMARK Name = BDB035386 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.377 0.186 -1.073 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.883 0.185 -1.680 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.235 -0.122 -2.804 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.846 0.642 -0.669 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.214 0.805 -0.791 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.922 1.256 0.330 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.228 1.514 1.538 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.835 1.342 1.645 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.160 0.902 0.511 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.295 0.626 0.313 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.075 -0.479 -1.485 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.809 -0.163 -0.938 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.615 -0.152 -1.688 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.699 -0.472 -3.043 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.928 -0.765 -3.632 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.091 -0.757 -2.866 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 -5.442 -0.503 -0.614 0.00 0.00 +0.061 C ATOM 18 C LIG 1 -6.284 0.816 -0.683 0.00 0.00 +0.054 C ATOM 19 C LIG 1 -5.772 1.192 0.729 0.00 0.00 +0.066 C ATOM 20 C LIG 1 -6.863 1.718 1.652 0.00 0.00 +0.041 C ATOM 21 C LIG 1 -5.404 -0.295 0.939 0.00 0.00 +0.054 C BRANCH 17 24 ATOM 22 C LIG 1 -4.599 -3.598 -0.387 0.00 0.00 +0.151 C ATOM 23 N LIG 1 -5.873 -3.108 -0.837 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -6.281 -1.807 -0.956 0.00 0.00 +0.144 A ATOM 25 N LIG 1 -7.517 -1.791 -1.411 0.00 0.00 -0.134 NA ATOM 26 N LIG 1 -7.921 -3.092 -1.591 0.00 0.00 -0.138 NA ATOM 27 C LIG 1 -6.922 -3.871 -1.247 0.00 0.00 +0.224 A ENDBRANCH 17 24 BRANCH 19 28 ATOM 28 O LIG 1 -4.645 2.097 0.754 0.00 0.00 -0.389 OA ATOM 29 H LIG 1 -4.462 2.265 1.694 0.00 0.00 +0.210 HD ENDBRANCH 19 28 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 1.099 1.608 2.930 0.00 0.00 +0.418 C ATOM 31 F LIG 1 1.889 2.063 3.939 0.00 0.00 -0.166 F ATOM 32 F LIG 1 0.481 0.492 3.407 0.00 0.00 -0.166 F ATOM 33 F LIG 1 0.112 2.534 2.776 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 5.424 1.436 0.268 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 6.091 0.353 0.993 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 5.720 -0.533 0.650 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 7.559 0.454 0.918 0.00 0.00 +0.017 C ATOM 38 C LIG 1 8.138 -0.894 1.444 0.00 0.00 +0.022 C ATOM 39 C LIG 1 9.080 -0.890 0.220 0.00 0.00 +0.004 C ATOM 40 C LIG 1 8.056 0.020 -0.490 0.00 0.00 +0.022 C ATOM 41 C LIG 1 8.149 1.698 1.560 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 8