REMARK Name = BDB035283 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.320 -0.919 -1.345 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -2.042 -0.446 -1.009 0.00 0.00 +0.055 A ATOM 3 C LIG 1 -1.095 -1.296 -0.448 0.00 0.00 +0.141 A ATOM 4 N LIG 1 -1.407 -2.603 -0.243 0.00 0.00 -0.234 NA ATOM 5 C LIG 1 -2.634 -3.088 -0.554 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -3.600 -2.265 -1.114 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 0.238 -0.880 -0.061 0.00 0.00 -0.266 N ATOM 8 C LIG 1 0.654 0.480 -0.127 0.00 0.00 +0.281 A ATOM 9 O LIG 1 -0.024 1.440 -0.481 0.00 0.00 -0.265 OA ATOM 10 C LIG 1 2.025 0.694 0.283 0.00 0.00 +0.113 A ATOM 11 C LIG 1 2.883 -0.278 0.734 0.00 0.00 +0.010 A ATOM 12 C LIG 1 4.124 0.329 1.015 0.00 0.00 +0.033 A ATOM 13 C LIG 1 3.995 1.679 0.725 0.00 0.00 +0.031 A ATOM 14 C LIG 1 2.403 -1.619 0.823 0.00 0.00 -0.018 A ATOM 15 N LIG 1 2.701 1.885 0.299 0.00 0.00 -0.353 N ATOM 16 H LIG 1 2.300 2.772 0.018 0.00 0.00 +0.166 HD ATOM 17 C LIG 1 1.137 -1.864 0.417 0.00 0.00 +0.100 A BRANCH 14 18 ATOM 18 C LIG 1 3.337 -2.655 1.306 0.00 0.00 +0.021 C ATOM 19 C LIG 1 3.816 -2.621 2.737 0.00 0.00 +0.009 C ATOM 20 C LIG 1 2.865 -3.692 2.299 0.00 0.00 +0.009 C ENDBRANCH 14 18 BRANCH 13 21 ATOM 21 C LIG 1 4.977 2.801 0.848 0.00 0.00 +0.137 C BRANCH 21 22 ATOM 22 N LIG 1 5.821 3.010 -0.328 0.00 0.00 -0.296 NA ATOM 23 C LIG 1 6.654 1.871 -0.696 0.00 0.00 +0.088 C ATOM 24 C LIG 1 7.814 2.349 -1.592 0.00 0.00 +0.000 C ATOM 25 C LIG 1 8.502 1.148 -2.243 0.00 0.00 +0.009 C ATOM 26 C LIG 1 7.363 3.377 -2.647 0.00 0.00 +0.006 C ATOM 27 C LIG 1 5.848 3.389 -2.808 0.00 0.00 +0.016 C ATOM 28 C LIG 1 5.139 3.624 -1.468 0.00 0.00 +0.085 C ENDBRANCH 21 22 ENDBRANCH 13 21 ENDBRANCH 3 7 BRANCH 1 30 ATOM 29 C LIG 1 -5.584 0.229 -1.323 0.00 0.00 +0.047 A ATOM 30 C LIG 1 -4.331 -0.015 -1.926 0.00 0.00 -0.005 A ATOM 31 C LIG 1 -4.056 0.649 -3.138 0.00 0.00 +0.012 A ATOM 32 C LIG 1 -4.995 1.505 -3.721 0.00 0.00 +0.039 A ATOM 33 C LIG 1 -6.223 1.706 -3.104 0.00 0.00 +0.124 A ATOM 34 F LIG 1 -7.120 2.523 -3.671 0.00 0.00 -0.205 F ATOM 35 C LIG 1 -6.533 1.074 -1.911 0.00 0.00 +0.052 A BRANCH 29 39 ATOM 36 C LIG 1 -7.307 -0.229 2.829 0.00 0.00 +0.028 C ATOM 37 C LIG 1 -5.844 -0.393 2.424 0.00 0.00 +0.073 C ATOM 38 N LIG 1 -5.576 0.207 1.120 0.00 0.00 -0.295 N ATOM 39 C LIG 1 -5.967 -0.411 -0.050 0.00 0.00 +0.248 C ATOM 40 O LIG 1 -6.624 -1.446 -0.103 0.00 0.00 -0.270 OA ATOM 41 C LIG 1 -4.761 1.409 1.241 0.00 0.00 +0.108 C ATOM 42 C LIG 1 -4.771 1.731 2.727 0.00 0.00 +0.021 C ATOM 43 C LIG 1 -4.899 0.354 3.369 0.00 0.00 +0.024 C ENDBRANCH 29 39 ENDBRANCH 1 30 BRANCH 5 44 ATOM 44 C LIG 1 -2.929 -4.544 -0.287 0.00 0.00 +0.038 C ATOM 45 C LIG 1 -3.830 -4.921 0.868 0.00 0.00 +0.010 C ATOM 46 C LIG 1 -2.364 -5.227 0.939 0.00 0.00 +0.010 C ENDBRANCH 5 44 TORSDOF 7