REMARK Name = BDB010980 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.447 1.494 0.498 0.00 0.00 -0.031 A ATOM 2 C LIG 1 2.618 1.335 -0.643 0.00 0.00 +0.035 A ATOM 3 C LIG 1 1.250 1.215 -0.354 0.00 0.00 +0.094 A ATOM 4 C LIG 1 0.773 1.257 0.998 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -0.587 1.116 0.934 0.00 0.00 +0.123 A ATOM 6 N LIG 1 -0.895 0.992 -0.405 0.00 0.00 -0.239 N ATOM 7 C LIG 1 1.532 1.412 2.162 0.00 0.00 +0.066 A ATOM 8 N LIG 1 0.214 1.054 -1.188 0.00 0.00 -0.166 NA ATOM 9 C LIG 1 2.911 1.533 1.833 0.00 0.00 +0.018 A ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -2.183 0.809 -0.991 0.00 0.00 +0.066 A ATOM 11 C LIG 1 -3.342 0.707 -0.200 0.00 0.00 +0.032 A ATOM 12 C LIG 1 -4.626 0.522 -0.765 0.00 0.00 -0.031 A ATOM 13 C LIG 1 -4.682 0.447 -2.173 0.00 0.00 +0.005 A ATOM 14 C LIG 1 -3.542 0.545 -2.971 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -2.295 0.725 -2.383 0.00 0.00 +0.028 A BRANCH 12 16 ATOM 16 C LIG 1 -5.972 0.389 0.113 0.00 0.00 +0.069 C ATOM 17 C LIG 1 -7.058 1.505 -0.169 0.00 0.00 +0.094 C ATOM 18 C LIG 1 -7.246 1.599 1.349 0.00 0.00 +0.136 C ATOM 19 O LIG 1 -8.076 2.110 2.071 0.00 0.00 -0.297 OA ATOM 20 C LIG 1 -5.953 0.826 1.625 0.00 0.00 +0.094 C BRANCH 16 21 ATOM 21 C LIG 1 -6.566 -1.080 -0.044 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -5.952 -2.273 0.229 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -4.623 -2.500 0.725 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -6.860 -3.240 -0.074 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -7.967 -2.683 -0.504 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -7.782 -1.322 -0.486 0.00 0.00 -0.134 NA ENDBRANCH 16 21 ENDBRANCH 12 16 ENDBRANCH 6 10 BRANCH 7 27 ATOM 27 C LIG 1 1.023 1.454 3.567 0.00 0.00 +0.418 C ATOM 28 F LIG 1 2.011 1.557 4.499 0.00 0.00 -0.166 F ATOM 29 F LIG 1 0.313 0.341 3.901 0.00 0.00 -0.166 F ATOM 30 F LIG 1 0.189 2.507 3.791 0.00 0.00 -0.166 F ENDBRANCH 7 27 BRANCH 1 31 ATOM 31 C LIG 1 4.948 1.638 0.293 0.00 0.00 +0.119 C BRANCH 31 35 ATOM 32 C LIG 1 4.639 -2.522 -1.138 0.00 0.00 +0.009 C ATOM 33 C LIG 1 5.901 -1.944 -0.492 0.00 0.00 +0.000 C ATOM 34 C LIG 1 5.575 -0.727 0.400 0.00 0.00 +0.088 C ATOM 35 N LIG 1 5.538 0.493 -0.410 0.00 0.00 -0.298 NA ATOM 36 C LIG 1 6.876 0.830 -0.925 0.00 0.00 +0.085 C ATOM 37 C LIG 1 7.769 -0.393 -1.184 0.00 0.00 +0.016 C ATOM 38 C LIG 1 6.941 -1.607 -1.579 0.00 0.00 +0.006 C ENDBRANCH 31 35 ENDBRANCH 1 31 TORSDOF 6