REMARK Name = BDB060797 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.100 -0.213 0.170 0.00 0.00 +0.103 C ATOM 2 C LIG 1 -1.424 -1.011 0.076 0.00 0.00 +0.134 C ATOM 3 C LIG 1 -2.716 -0.289 -0.224 0.00 0.00 +0.003 A ATOM 4 C LIG 1 -3.592 -0.423 0.855 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -4.850 0.143 0.871 0.00 0.00 +0.023 A ATOM 6 C LIG 1 -5.243 0.866 -0.256 0.00 0.00 +0.002 A ATOM 7 C LIG 1 -4.383 0.997 -1.360 0.00 0.00 +0.000 A ATOM 8 N LIG 1 -3.017 -1.188 1.855 0.00 0.00 -0.283 N ATOM 9 H LIG 1 -3.447 -1.432 2.735 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 -3.113 0.412 -1.354 0.00 0.00 +0.008 A ATOM 11 C LIG 1 -1.737 -1.595 1.508 0.00 0.00 +0.243 C ATOM 12 O LIG 1 -0.993 -2.275 2.202 0.00 0.00 -0.273 OA ATOM 13 N LIG 1 -1.199 -2.143 -0.857 0.00 0.00 -0.288 NA ATOM 14 H LIG 1 -1.412 -1.841 -1.810 0.00 0.00 +0.124 HD ATOM 15 C LIG 1 0.263 -2.449 -0.768 0.00 0.00 +0.168 C ATOM 16 C LIG 1 0.903 -1.049 -0.671 0.00 0.00 +0.058 C ENDROOT BRANCH 1 20 ATOM 17 C LIG 1 -0.627 4.862 -0.564 0.00 0.00 +0.071 C ATOM 18 C LIG 1 -0.399 3.398 -0.639 0.00 0.00 +0.111 A ATOM 19 C LIG 1 -0.505 2.413 0.375 0.00 0.00 +0.191 A ATOM 20 C LIG 1 -0.186 1.224 -0.254 0.00 0.00 +0.174 A ATOM 21 O LIG 1 0.078 1.494 -1.564 0.00 0.00 -0.357 OA ATOM 22 N LIG 1 -0.048 2.842 -1.805 0.00 0.00 -0.081 NA BRANCH 19 23 ATOM 23 N LIG 1 -0.879 2.587 1.742 0.00 0.00 +0.062 N ATOM 24 O LIG 1 -1.027 1.566 2.422 0.00 0.00 -0.126 OA ATOM 25 O LIG 1 -1.029 3.747 2.142 0.00 0.00 -0.126 OA ENDBRANCH 19 23 ENDBRANCH 1 20 BRANCH 16 26 ATOM 26 C LIG 1 2.307 -1.017 -0.092 0.00 0.00 -0.042 A ATOM 27 C LIG 1 2.613 -1.612 1.144 0.00 0.00 +0.006 A ATOM 28 C LIG 1 3.913 -1.563 1.657 0.00 0.00 +0.033 A ATOM 29 C LIG 1 4.918 -0.912 0.934 0.00 0.00 +0.126 A ATOM 30 C LIG 1 4.629 -0.307 -0.293 0.00 0.00 +0.033 A ATOM 31 C LIG 1 3.327 -0.360 -0.799 0.00 0.00 +0.006 A BRANCH 29 32 ATOM 32 N LIG 1 6.284 -0.857 1.471 0.00 0.00 +0.056 N ATOM 33 O LIG 1 6.502 -1.421 2.553 0.00 0.00 -0.126 OA ATOM 34 O LIG 1 7.138 -0.247 0.811 0.00 0.00 -0.126 OA ENDBRANCH 29 32 ENDBRANCH 16 26 BRANCH 15 35 ATOM 35 C LIG 1 0.846 -3.257 -1.949 0.00 0.00 +0.405 C ATOM 36 F LIG 1 0.272 -4.476 -2.042 0.00 0.00 -0.169 F ATOM 37 F LIG 1 0.626 -2.612 -3.120 0.00 0.00 -0.169 F ATOM 38 F LIG 1 2.177 -3.442 -1.827 0.00 0.00 -0.169 F ENDBRANCH 15 35 TORSDOF 5