REMARK Name = BDB057043 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -3.932 -1.299 -0.346 0.00 0.00 -0.252 OA ATOM 2 C LIG 1 -2.956 -0.602 -0.615 0.00 0.00 +0.307 C ATOM 3 N LIG 1 -1.652 -1.015 -0.305 0.00 0.00 -0.278 N ATOM 4 N LIG 1 -3.049 0.626 -1.235 0.00 0.00 -0.269 N ATOM 5 H LIG 1 -2.228 0.940 -1.722 0.00 0.00 +0.156 HD ENDROOT BRANCH 3 6 ATOM 6 C LIG 1 -0.424 -0.214 -0.548 0.00 0.00 +0.080 C ATOM 7 C LIG 1 0.703 -0.400 0.475 0.00 0.00 +0.038 C ATOM 8 C LIG 1 1.902 0.484 0.126 0.00 0.00 +0.086 C ATOM 9 N LIG 1 2.396 0.183 -1.228 0.00 0.00 -0.298 NA ATOM 10 C LIG 1 1.350 0.401 -2.235 0.00 0.00 +0.086 C ATOM 11 C LIG 1 0.123 -0.468 -1.960 0.00 0.00 +0.038 C BRANCH 9 12 ATOM 12 C LIG 1 3.591 0.984 -1.556 0.00 0.00 +0.119 C BRANCH 12 13 ATOM 13 C LIG 1 4.814 0.591 -0.753 0.00 0.00 -0.030 A ATOM 14 C LIG 1 5.495 1.547 0.018 0.00 0.00 +0.054 A ATOM 15 C LIG 1 6.609 1.141 0.722 0.00 0.00 +0.167 A ATOM 16 O LIG 1 7.378 1.934 1.515 0.00 0.00 -0.453 OA ATOM 17 C LIG 1 8.364 0.985 1.972 0.00 0.00 +0.466 C ATOM 18 O LIG 1 8.172 -0.344 1.444 0.00 0.00 -0.453 OA ATOM 19 C LIG 1 7.062 -0.157 0.681 0.00 0.00 +0.166 A ATOM 20 C LIG 1 6.426 -1.123 -0.067 0.00 0.00 +0.050 A ATOM 21 C LIG 1 5.293 -0.742 -0.791 0.00 0.00 +0.009 A ENDBRANCH 12 13 ENDBRANCH 9 12 ENDBRANCH 3 6 BRANCH 4 22 ATOM 22 C LIG 1 -4.223 1.364 -1.501 0.00 0.00 +0.035 A ATOM 23 C LIG 1 -5.468 1.076 -0.938 0.00 0.00 +0.035 A ATOM 24 C LIG 1 -6.596 1.865 -1.232 0.00 0.00 +0.057 A ATOM 25 C LIG 1 -6.459 2.950 -2.108 0.00 0.00 +0.012 A ATOM 26 C LIG 1 -5.218 3.252 -2.664 0.00 0.00 +0.002 A ATOM 27 C LIG 1 -4.106 2.466 -2.357 0.00 0.00 +0.023 A BRANCH 24 28 ATOM 28 C LIG 1 -7.936 1.520 -0.630 0.00 0.00 +0.417 C ATOM 29 F LIG 1 -7.853 1.130 0.672 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -8.813 2.564 -0.645 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -8.558 0.505 -1.291 0.00 0.00 -0.166 F ENDBRANCH 24 28 ENDBRANCH 4 22 BRANCH 3 32 ATOM 32 C LIG 1 -1.510 -2.395 0.187 0.00 0.00 +0.144 C BRANCH 32 33 ATOM 33 C LIG 1 -1.377 -2.513 1.691 0.00 0.00 -0.030 A ATOM 34 C LIG 1 -0.361 -3.307 2.247 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -0.236 -3.441 3.631 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -1.133 -2.795 4.478 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -2.158 -2.020 3.942 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -2.283 -1.885 2.558 0.00 0.00 +0.005 A ENDBRANCH 32 33 ENDBRANCH 3 32 TORSDOF 7