REMARK Name = BDB044282 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 1 0.409 1.268 -3.328 0.00 0.00 +0.038 C ATOM 2 C UNK A 1 0.785 0.862 -1.908 0.00 0.00 +0.156 C ENDROOT BRANCH 2 3 ATOM 3 C UNK A 1 -0.252 -0.141 -1.359 0.00 0.00 +0.234 C ATOM 4 N UNK A 1 -1.438 0.437 -0.947 0.00 0.00 -0.304 N ATOM 5 H UNK A 1 -1.637 1.365 -1.305 0.00 0.00 +0.149 HD ATOM 6 O UNK A 1 -0.060 -1.355 -1.325 0.00 0.00 -0.274 OA BRANCH 4 7 ATOM 7 C UNK A 1 -2.605 -0.388 -0.625 0.00 0.00 +0.139 C BRANCH 7 8 ATOM 8 C UNK A 1 -3.404 -0.522 -1.920 0.00 0.00 +0.245 C ATOM 9 O UNK A 1 -3.387 0.310 -2.826 0.00 0.00 -0.299 OA ENDBRANCH 7 8 BRANCH 7 10 ATOM 10 C UNK A 1 -3.396 0.215 0.576 0.00 0.00 +0.022 C BRANCH 10 11 ATOM 11 C UNK A 1 -4.118 -0.868 1.439 0.00 0.00 -0.005 C ATOM 12 C UNK A 1 -3.105 -1.565 2.386 0.00 0.00 +0.004 C ATOM 13 C UNK A 1 -3.582 -2.917 2.927 0.00 0.00 +0.000 C ATOM 14 C UNK A 1 -5.099 -3.002 2.995 0.00 0.00 +0.000 C ATOM 15 C UNK A 1 -5.736 -2.815 1.618 0.00 0.00 +0.000 C ATOM 16 C UNK A 1 -4.905 -1.940 0.672 0.00 0.00 +0.004 C ENDBRANCH 10 11 BRANCH 10 17 ATOM 17 C UNK A 1 -4.226 1.502 0.199 0.00 0.00 -0.005 C ATOM 18 C UNK A 1 -4.216 2.571 1.317 0.00 0.00 +0.004 C ATOM 19 C UNK A 1 -5.317 2.426 2.360 0.00 0.00 +0.000 C ATOM 20 C UNK A 1 -6.691 2.334 1.712 0.00 0.00 +0.000 C ATOM 21 C UNK A 1 -6.759 1.209 0.689 0.00 0.00 +0.000 C ATOM 22 C UNK A 1 -5.649 1.306 -0.356 0.00 0.00 +0.004 C ENDBRANCH 10 17 ENDBRANCH 7 10 ENDBRANCH 4 7 ENDBRANCH 2 3 BRANCH 2 23 ATOM 23 N UNK A 1 2.119 0.272 -1.888 0.00 0.00 -0.303 N ATOM 24 H UNK A 1 2.284 -0.492 -2.535 0.00 0.00 +0.149 HD ATOM 25 C UNK A 1 2.862 0.285 -0.727 0.00 0.00 +0.234 C ATOM 26 O UNK A 1 2.481 0.858 0.294 0.00 0.00 -0.274 OA BRANCH 25 27 ATOM 27 C UNK A 1 4.207 -0.475 -0.794 0.00 0.00 +0.166 C BRANCH 27 28 ATOM 28 N UNK A 1 5.007 -0.018 0.341 0.00 0.00 -0.269 N ATOM 29 H UNK A 1 4.553 -0.009 1.247 0.00 0.00 +0.153 HD ATOM 30 C UNK A 0 5.909 0.993 0.201 0.00 0.00 +0.401 C ATOM 31 O UNK A 0 6.344 1.399 -0.864 0.00 0.00 -0.226 OA BRANCH 30 32 ATOM 32 O UNK A 0 6.223 1.464 1.427 0.00 0.00 -0.445 OA BRANCH 32 33 ATOM 33 C UNK A 0 7.148 2.571 1.582 0.00 0.00 +0.107 C ATOM 34 C UNK A 0 7.232 2.799 3.099 0.00 0.00 +0.055 C ATOM 35 C UNK A 0 8.544 2.209 1.064 0.00 0.00 +0.055 C ATOM 36 C UNK A 0 6.605 3.845 0.926 0.00 0.00 +0.055 C ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 27 28 BRANCH 27 37 ATOM 37 C UNK A 1 3.999 -1.995 -0.717 0.00 0.00 +0.067 C BRANCH 37 38 ATOM 38 C UNK A 1 3.695 -2.635 -2.052 0.00 0.00 -0.045 A ATOM 39 C UNK A 1 2.453 -3.238 -2.287 0.00 0.00 +0.004 A ATOM 40 C UNK A 1 2.165 -3.808 -3.528 0.00 0.00 +0.000 A ATOM 41 C UNK A 1 3.120 -3.793 -4.543 0.00 0.00 +0.000 A ATOM 42 C UNK A 1 4.365 -3.211 -4.316 0.00 0.00 +0.000 A ATOM 43 C UNK A 1 4.654 -2.638 -3.076 0.00 0.00 +0.004 A ENDBRANCH 37 38 ENDBRANCH 27 37 ENDBRANCH 25 27 ENDBRANCH 2 23 TORSDOF 13