REMARK Name = BDB045438 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 2 2.671 -1.377 -0.342 0.00 0.00 +0.237 C ATOM 2 N UNK A 3 1.361 -1.639 -0.686 0.00 0.00 -0.286 N ATOM 3 C UNK A 3 0.320 -0.723 -1.174 0.00 0.00 +0.164 C ATOM 4 C UNK A 3 -0.539 -0.065 -0.053 0.00 0.00 +0.234 C ATOM 5 N UNK A 4 0.079 0.120 1.157 0.00 0.00 -0.302 N ATOM 6 H UNK A 4 1.079 -0.029 1.212 0.00 0.00 +0.150 HD ATOM 7 C UNK A 4 -0.461 0.858 2.312 0.00 0.00 +0.163 C ATOM 8 C UNK A 4 -1.789 0.317 2.891 0.00 0.00 +0.234 C ATOM 9 N UNK A 5 -2.889 0.415 2.075 0.00 0.00 -0.301 N ATOM 10 H UNK A 5 -2.718 0.681 1.102 0.00 0.00 +0.150 HD ATOM 11 C UNK A 5 -4.237 0.013 2.470 0.00 0.00 +0.186 C ATOM 12 C UNK A 5 -4.348 -1.481 2.843 0.00 0.00 +0.069 C ATOM 13 C UNK A 5 -4.496 -2.483 1.708 0.00 0.00 -0.045 A ATOM 14 C UNK A 5 -4.652 -3.841 2.055 0.00 0.00 +0.007 A ATOM 15 C UNK A 5 -4.808 -4.826 1.076 0.00 0.00 +0.046 A ATOM 16 C UNK A 5 -4.800 -4.460 -0.265 0.00 0.00 +0.121 A ATOM 17 O UNK A 5 -4.941 -5.388 -1.260 0.00 0.00 -0.486 OA ATOM 18 C UNK A 5 -3.747 -6.182 -1.441 0.00 0.00 +0.287 C ATOM 19 C UNK A 5 -2.582 -5.403 -1.943 0.00 0.00 +0.120 A ATOM 20 N UNK A 5 -2.370 -5.207 -3.283 0.00 0.00 -0.131 NA ATOM 21 N UNK A 5 -1.331 -4.395 -3.419 0.00 0.00 -0.065 NA ATOM 22 N UNK A 5 -0.903 -4.065 -2.186 0.00 0.00 -0.247 N ATOM 23 C UNK A 5 0.061 -3.005 -2.041 0.00 0.00 +0.128 C ATOM 24 C UNK A 5 -1.617 -4.719 -1.230 0.00 0.00 +0.137 A ATOM 25 C UNK A 5 -4.677 -3.122 -0.631 0.00 0.00 +0.046 A ATOM 26 C UNK A 5 -4.503 -2.140 0.348 0.00 0.00 +0.007 A ATOM 27 O UNK A 4 -1.850 -0.143 4.030 0.00 0.00 -0.274 OA ATOM 28 O UNK A 3 -1.686 0.321 -0.277 0.00 0.00 -0.274 OA ATOM 29 C UNK A 3 -0.585 -1.609 -2.053 0.00 0.00 +0.060 C ATOM 30 C UNK A 5 0.884 -3.009 -0.759 0.00 0.00 +0.135 C ATOM 31 O UNK A 2 3.389 -2.264 0.132 0.00 0.00 -0.274 OA ENDROOT BRANCH 11 32 ATOM 32 C UNK A 5 -4.820 0.939 3.564 0.00 0.00 +0.326 C ATOM 33 O UNK A 5 -4.230 1.860 4.111 0.00 0.00 -0.249 OA BRANCH 32 34 ATOM 34 O UNK A 5 -6.136 0.708 3.828 0.00 0.00 -0.479 OA ATOM 35 H UNK A 5 -6.558 0.019 3.279 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 11 32 BRANCH 1 36 ATOM 36 C UNK A 2 3.240 0.027 -0.640 0.00 0.00 +0.162 C BRANCH 36 37 ATOM 37 C UNK A 2 3.771 0.108 -2.091 0.00 0.00 +0.018 C ATOM 38 C UNK A 2 4.888 -0.912 -2.407 0.00 0.00 +0.006 C ATOM 39 C UNK A 2 5.818 -0.474 -3.543 0.00 0.00 +0.000 C ATOM 40 C UNK A 2 5.102 0.397 -4.565 0.00 0.00 +0.000 C ATOM 41 C UNK A 2 4.541 1.672 -3.934 0.00 0.00 +0.000 C ATOM 42 C UNK A 2 4.225 1.533 -2.444 0.00 0.00 +0.006 C ENDBRANCH 36 37 BRANCH 36 44 ATOM 43 C ALA A 1 3.937 0.916 1.556 0.00 0.00 +0.230 C ATOM 44 N UNK A 2 4.256 0.329 0.352 0.00 0.00 -0.302 N ATOM 45 H UNK A 2 5.120 -0.210 0.372 0.00 0.00 +0.150 HD ATOM 46 O ALA A 1 2.800 1.318 1.803 0.00 0.00 -0.274 OA BRANCH 43 47 ATOM 47 CA ALA A 1 5.095 0.946 2.579 0.00 0.00 +0.137 C ATOM 48 CB ALA A 1 4.983 2.150 3.512 0.00 0.00 +0.034 C BRANCH 47 50 ATOM 49 C ACE A 0 6.872 1.963 1.203 0.00 0.00 +0.101 C ATOM 50 N ALA A 1 6.419 0.783 1.931 0.00 0.00 -0.309 NA ATOM 51 H ALA A 1 7.102 0.587 2.663 0.00 0.00 +0.122 HD ENDBRANCH 47 50 ENDBRANCH 43 47 ENDBRANCH 36 44 ENDBRANCH 1 36 BRANCH 7 52 ATOM 52 C UNK A 4 -0.397 2.400 2.225 0.00 0.00 +0.067 C BRANCH 52 53 ATOM 53 C UNK A 4 -1.264 3.104 1.212 0.00 0.00 -0.045 A ATOM 54 C UNK A 4 -2.545 3.552 1.569 0.00 0.00 +0.012 A ATOM 55 C UNK A 4 -3.387 4.175 0.634 0.00 0.00 -0.018 A ATOM 56 C UNK A 4 -2.926 4.380 -0.684 0.00 0.00 -0.018 A ATOM 57 C UNK A 4 -3.775 4.999 -1.617 0.00 0.00 +0.008 A ATOM 58 C UNK A 4 -5.061 5.405 -1.253 0.00 0.00 +0.001 A ATOM 59 C UNK A 4 -5.512 5.202 0.046 0.00 0.00 +0.001 A ATOM 60 C UNK A 4 -1.631 3.965 -1.026 0.00 0.00 +0.009 A ATOM 61 C UNK A 4 -4.681 4.592 0.987 0.00 0.00 +0.008 A ATOM 62 C UNK A 4 -0.806 3.340 -0.087 0.00 0.00 +0.004 A ENDBRANCH 52 53 ENDBRANCH 7 52 TORSDOF 9