REMARK Name = BDB010131 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 0 -2.072 -2.004 0.050 0.00 0.00 +0.199 A ATOM 2 N UNK A 0 -1.023 -1.232 0.508 0.00 0.00 -0.303 N ATOM 3 C UNK A 0 0.150 -1.869 0.166 0.00 0.00 +0.130 A ATOM 4 C UNK A 0 -0.276 -3.055 -0.410 0.00 0.00 +0.185 A ATOM 5 N UNK A 0 0.546 -4.019 -0.847 0.00 0.00 -0.200 NA ATOM 6 C UNK A 0 1.829 -3.714 -0.643 0.00 0.00 +0.242 A ATOM 7 N UNK A 0 2.349 -2.575 -0.104 0.00 0.00 -0.205 NA ATOM 8 C UNK A 0 1.509 -1.599 0.296 0.00 0.00 +0.149 A ATOM 9 N UNK A 0 -1.635 -3.116 -0.489 0.00 0.00 -0.194 NA ENDROOT BRANCH 1 10 ATOM 10 N ALA A 1 -3.359 -1.610 0.167 0.00 0.00 -0.310 N ATOM 11 H ALA A 1 -3.596 -0.625 0.241 0.00 0.00 +0.149 HD BRANCH 10 13 ATOM 12 CB ALA A 1 -5.742 -2.100 0.214 0.00 0.00 +0.030 C ATOM 13 CA ALA A 1 -4.405 -2.432 -0.453 0.00 0.00 +0.095 C BRANCH 13 14 ATOM 14 C ALA A 1 -4.473 -2.191 -1.974 0.00 0.00 +0.177 C BRANCH 14 15 ATOM 15 O ALA A 1 -5.424 -3.049 -2.600 0.00 0.00 -0.393 OA ATOM 16 H ALA A 1 -5.055 -3.950 -2.560 0.00 0.00 +0.209 HD ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 10 13 ENDBRANCH 1 10 BRANCH 6 17 ATOM 17 C UNK A 0 2.867 -4.725 -1.053 0.00 0.00 +0.375 C ATOM 18 O UNK A 0 2.663 -5.803 -1.582 0.00 0.00 -0.242 OA BRANCH 17 19 ATOM 19 O UNK A 0 4.118 -4.270 -0.751 0.00 0.00 -0.475 OA ATOM 20 H UNK A 0 4.044 -3.384 -0.325 0.00 0.00 +0.296 HD ENDBRANCH 17 19 ENDBRANCH 6 17 BRANCH 8 21 ATOM 21 N UNK A 0 2.002 -0.401 0.804 0.00 0.00 -0.324 N ATOM 22 H UNK A 0 1.421 0.385 0.529 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C UNK A 0 3.442 -0.142 0.695 0.00 0.00 +0.072 C ATOM 24 C UNK A 0 4.163 -0.792 1.881 0.00 0.00 +0.028 C BRANCH 23 25 ATOM 25 C UNK A 0 3.773 1.359 0.693 0.00 0.00 +0.009 C ATOM 26 C UNK A 0 3.122 2.279 -0.378 0.00 0.00 +0.005 C ATOM 27 C UNK A 0 3.164 3.406 0.676 0.00 0.00 +0.001 C ATOM 28 C UNK A 0 3.149 2.305 1.758 0.00 0.00 +0.005 C ENDBRANCH 23 25 ENDBRANCH 21 23 ENDBRANCH 8 21 BRANCH 2 29 ATOM 29 C UNK A 0 -1.151 -0.043 1.335 0.00 0.00 +0.160 C BRANCH 29 30 ATOM 30 C UNK A 0 -1.061 1.261 0.571 0.00 0.00 -0.028 A ATOM 31 C UNK A 0 -1.228 1.366 -0.818 0.00 0.00 +0.006 A ATOM 32 C UNK A 0 -1.139 2.607 -1.457 0.00 0.00 +0.013 A ATOM 33 C UNK A 0 -0.901 3.776 -0.723 0.00 0.00 +0.055 A ATOM 34 C UNK A 0 -0.750 3.678 0.666 0.00 0.00 +0.013 A ATOM 35 C UNK A 0 -0.834 2.438 1.304 0.00 0.00 +0.006 A BRANCH 33 36 ATOM 36 C UNK A 0 -0.770 5.112 -1.415 0.00 0.00 +0.417 C ATOM 37 F UNK A 0 -1.254 6.144 -0.670 0.00 0.00 -0.166 F ATOM 38 F UNK A 0 -1.430 5.168 -2.604 0.00 0.00 -0.166 F ATOM 39 F UNK A 0 0.527 5.421 -1.688 0.00 0.00 -0.166 F ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 2 29 TORSDOF 12