REMARK Name = BDB055273 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 0 0.552 0.510 0.812 0.00 0.00 +0.234 C ATOM 2 N UNK A 0 1.403 0.072 -0.178 0.00 0.00 -0.308 N ATOM 3 H UNK A 0 1.175 0.343 -1.135 0.00 0.00 +0.149 HD ATOM 4 O UNK A 0 0.539 0.042 1.948 0.00 0.00 -0.274 OA ENDROOT BRANCH 2 5 ATOM 5 C UNK A 0 2.327 -1.044 -0.011 0.00 0.00 +0.106 C BRANCH 5 6 ATOM 6 C UNK A 0 1.553 -2.384 0.045 0.00 0.00 +0.062 C BRANCH 6 7 ATOM 7 C UNK A 0 2.388 -3.521 0.546 0.00 0.00 -0.021 A ATOM 8 C UNK A 0 2.807 -3.738 1.898 0.00 0.00 +0.003 A ATOM 9 C UNK A 0 3.601 -4.886 1.911 0.00 0.00 +0.047 A ATOM 10 C UNK A 0 4.199 -5.379 3.076 0.00 0.00 +0.026 A ATOM 11 C UNK A 0 3.975 -4.679 4.267 0.00 0.00 +0.002 A ATOM 12 C UNK A 0 3.179 -3.536 4.289 0.00 0.00 +0.001 A ATOM 13 N UNK A 0 3.637 -5.366 0.622 0.00 0.00 -0.360 N ATOM 14 H UNK A 0 4.125 -6.202 0.337 0.00 0.00 +0.165 HD ATOM 15 C UNK A 0 2.593 -3.055 3.113 0.00 0.00 +0.010 A ATOM 16 C UNK A 0 2.906 -4.555 -0.206 0.00 0.00 +0.087 A ENDBRANCH 6 7 ENDBRANCH 5 6 BRANCH 5 17 ATOM 17 C UNK A 0 3.417 -1.046 -1.127 0.00 0.00 +0.144 C BRANCH 17 18 ATOM 18 O UNK A 0 2.874 -1.371 -2.412 0.00 0.00 -0.389 OA ATOM 19 H UNK A 0 2.357 -0.596 -2.714 0.00 0.00 +0.210 HD ENDBRANCH 17 18 BRANCH 17 20 ATOM 20 C UNK A 0 4.260 0.241 -1.208 0.00 0.00 +0.129 C BRANCH 20 21 ATOM 21 C UNK A 0 3.539 1.426 -1.822 0.00 0.00 +0.216 C ATOM 22 N VAL A 1 4.151 2.640 -1.900 0.00 0.00 -0.302 N ATOM 23 H VAL A 1 3.567 3.303 -2.401 0.00 0.00 +0.150 HD ATOM 24 O UNK A 0 2.393 1.339 -2.273 0.00 0.00 -0.276 OA BRANCH 22 25 ATOM 25 CA VAL A 1 5.577 2.997 -1.838 0.00 0.00 +0.184 C BRANCH 25 26 ATOM 26 CB VAL A 1 6.321 2.691 -0.520 0.00 0.00 +0.014 C ATOM 27 CG2 VAL A 1 7.701 3.367 -0.504 0.00 0.00 +0.009 C ATOM 28 CG1 VAL A 1 5.528 3.182 0.699 0.00 0.00 +0.009 C ENDBRANCH 25 26 BRANCH 25 29 ATOM 29 C VAL A 1 6.239 2.502 -3.129 0.00 0.00 +0.326 C ATOM 30 O VAL A 1 6.012 2.944 -4.246 0.00 0.00 -0.249 OA BRANCH 29 31 ATOM 31 OXT VAL A 1 7.036 1.429 -2.973 0.00 0.00 -0.479 OA ATOM 32 HXT VAL A 1 7.295 1.193 -3.890 0.00 0.00 +0.295 HD ENDBRANCH 29 31 ENDBRANCH 25 29 ENDBRANCH 22 25 ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 5 17 ENDBRANCH 2 5 BRANCH 1 33 ATOM 33 C UNK A 0 -0.411 1.626 0.343 0.00 0.00 +0.162 C BRANCH 33 34 ATOM 34 N UNK A 0 -1.785 1.170 0.539 0.00 0.00 -0.302 N ATOM 35 H UNK A 0 -2.219 1.325 1.441 0.00 0.00 +0.150 HD ATOM 36 C UNK A 0 -2.306 0.200 -0.294 0.00 0.00 +0.234 C ATOM 37 O UNK A 0 -1.652 -0.289 -1.217 0.00 0.00 -0.274 OA BRANCH 36 38 ATOM 38 C UNK A 0 -3.766 -0.215 0.008 0.00 0.00 +0.162 C BRANCH 38 39 ATOM 39 N UNK A 0 -4.207 -1.081 -1.078 0.00 0.00 -0.270 N ATOM 40 H UNK A 0 -3.648 -1.906 -1.264 0.00 0.00 +0.153 HD ATOM 41 C UNK A 0 -4.709 -0.540 -2.224 0.00 0.00 +0.401 C ATOM 42 O UNK A 0 -5.136 0.598 -2.331 0.00 0.00 -0.226 OA BRANCH 41 43 ATOM 43 O UNK A 0 -4.615 -1.462 -3.207 0.00 0.00 -0.445 OA BRANCH 43 44 ATOM 44 C UNK A 0 -4.967 -1.127 -4.572 0.00 0.00 +0.107 C ATOM 45 C UNK A 0 -4.074 -0.006 -5.115 0.00 0.00 +0.055 C ATOM 46 C UNK A 0 -6.456 -0.788 -4.693 0.00 0.00 +0.055 C ATOM 47 C UNK A 0 -4.685 -2.409 -5.373 0.00 0.00 +0.055 C ENDBRANCH 43 44 ENDBRANCH 41 43 ENDBRANCH 38 39 BRANCH 38 48 ATOM 48 C UNK A 0 -3.874 -0.932 1.361 0.00 0.00 +0.035 C BRANCH 48 49 ATOM 49 C UNK A 0 -5.308 -1.396 1.731 0.00 0.00 -0.009 C ATOM 50 C UNK A 0 -5.309 -2.107 3.104 0.00 0.00 +0.003 C ATOM 51 C UNK A 0 -5.963 -1.299 4.230 0.00 0.00 +0.000 C ATOM 52 C UNK A 0 -5.649 0.186 4.126 0.00 0.00 +0.000 C ATOM 53 C UNK A 0 -6.091 0.786 2.789 0.00 0.00 +0.000 C ATOM 54 C UNK A 0 -6.344 -0.265 1.708 0.00 0.00 +0.003 C ENDBRANCH 48 49 ENDBRANCH 38 48 ENDBRANCH 36 38 ENDBRANCH 33 34 BRANCH 33 55 ATOM 55 C UNK A 0 -0.137 2.987 1.034 0.00 0.00 +0.015 C ATOM 56 C UNK A 0 -0.182 2.920 2.566 0.00 0.00 +0.010 C BRANCH 55 58 ATOM 57 C UNK A 0 1.445 5.007 1.010 0.00 0.00 +0.004 C ATOM 58 C UNK A 0 1.198 3.582 0.535 0.00 0.00 +0.002 C ENDBRANCH 55 58 ENDBRANCH 33 55 ENDBRANCH 1 33 TORSDOF 21