REMARK Name = BDB035843 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.306 -1.425 -0.062 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.874 -2.078 0.315 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.056 -3.114 0.925 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.992 -1.257 -0.172 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.350 -1.482 -0.047 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.230 -0.543 -0.605 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.707 0.592 -1.269 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.319 0.810 -1.383 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.474 -0.144 -0.821 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.018 -0.192 -0.783 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.085 -1.485 -0.019 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.739 -1.093 -0.221 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.635 -1.874 0.176 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.898 -3.093 0.803 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.208 -3.521 1.017 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.279 -2.730 0.608 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 -6.441 0.233 -2.149 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -5.128 0.623 -1.432 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -5.340 -0.585 -0.460 0.00 0.00 +0.060 C ATOM 20 C LIG 1 -6.235 -1.194 -1.596 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 -6.179 -0.154 0.823 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -5.731 0.498 1.939 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -4.399 0.950 2.229 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -6.814 0.644 2.750 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -7.870 0.122 2.170 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -7.470 -0.383 0.957 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 -7.595 -0.029 -4.263 0.00 0.00 +0.194 C ATOM 28 O LIG 1 -6.413 0.377 -3.585 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 1.763 2.018 -2.085 0.00 0.00 +0.418 C ATOM 30 F LIG 1 0.918 2.731 -1.289 0.00 0.00 -0.166 F ATOM 31 F LIG 1 1.038 1.684 -3.187 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.713 2.895 -2.507 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.724 -0.748 -0.493 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 6.207 -0.731 0.886 0.00 0.00 -0.309 NA ATOM 35 H LIG 1 7.171 -1.062 0.910 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 6.105 0.564 1.554 0.00 0.00 +0.062 C ATOM 37 C LIG 1 6.834 1.776 0.924 0.00 0.00 +0.034 C ATOM 38 C LIG 1 8.336 1.517 0.832 0.00 0.00 +0.165 C ATOM 39 O LIG 1 8.764 1.482 2.212 0.00 0.00 -0.376 OA ATOM 40 C LIG 1 7.580 1.789 2.986 0.00 0.00 +0.120 C ATOM 41 C LIG 1 6.823 2.755 2.091 0.00 0.00 +0.039 C ATOM 42 C LIG 1 6.715 0.523 2.976 0.00 0.00 +0.050 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8