REMARK Name = BDB057497 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -1.918 -0.087 3.319 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.686 1.372 3.732 0.00 0.00 +0.326 C ATOM 3 O LIG 1 -2.337 2.355 3.413 0.00 0.00 -0.249 OA BRANCH 2 4 ATOM 4 OXT LIG 1 -0.700 1.529 4.644 0.00 0.00 -0.479 OA ATOM 5 HXT LIG 1 -0.735 2.491 4.836 0.00 0.00 +0.295 HD ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 6 ATOM 6 N LIG 1 -2.761 -0.302 2.120 0.00 0.00 -0.331 N ATOM 7 H LIG 1 -3.741 -0.471 2.388 0.00 0.00 +0.147 HD BRANCH 6 8 ATOM 8 C LIG 1 -2.749 0.437 0.934 0.00 0.00 +0.039 A ATOM 9 C LIG 1 -3.796 0.267 -0.007 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -3.805 0.956 -1.233 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -2.741 1.783 -1.573 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -1.677 1.922 -0.692 0.00 0.00 +0.002 A ATOM 13 C LIG 1 -1.682 1.253 0.539 0.00 0.00 +0.023 A BRANCH 9 14 ATOM 14 C LIG 1 -4.940 -0.630 0.311 0.00 0.00 +0.195 C ATOM 15 O LIG 1 -5.448 -0.589 1.431 0.00 0.00 -0.287 OA BRANCH 14 16 ATOM 16 C LIG 1 -5.468 -1.588 -0.696 0.00 0.00 +0.022 A ATOM 17 C LIG 1 -6.822 -1.937 -0.640 0.00 0.00 +0.012 A ATOM 18 C LIG 1 -7.351 -2.840 -1.563 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -6.527 -3.404 -2.537 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -5.172 -3.074 -2.584 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -4.639 -2.171 -1.662 0.00 0.00 +0.012 A ENDBRANCH 14 16 ENDBRANCH 9 14 ENDBRANCH 6 8 ENDBRANCH 1 6 BRANCH 1 22 ATOM 22 C LIG 1 -0.684 -1.013 3.348 0.00 0.00 +0.068 C BRANCH 22 26 ATOM 23 C LIG 1 2.429 -0.339 0.417 0.00 0.00 +0.121 A ATOM 24 C LIG 1 2.495 0.279 1.665 0.00 0.00 +0.046 A ATOM 25 C LIG 1 1.491 0.059 2.615 0.00 0.00 +0.007 A ATOM 26 C LIG 1 0.405 -0.778 2.329 0.00 0.00 -0.045 A ATOM 27 C LIG 1 0.352 -1.406 1.079 0.00 0.00 +0.007 A ATOM 28 C LIG 1 1.354 -1.183 0.132 0.00 0.00 +0.046 A BRANCH 23 29 ATOM 29 O LIG 1 3.334 -0.206 -0.599 0.00 0.00 -0.487 OA BRANCH 29 30 ATOM 30 C LIG 1 4.452 0.655 -0.370 0.00 0.00 +0.264 C BRANCH 30 33 ATOM 31 C LIG 1 6.476 2.824 -0.688 0.00 0.00 +0.044 C ATOM 32 C LIG 1 6.346 1.722 -1.704 0.00 0.00 -0.044 A ATOM 33 C LIG 1 5.378 0.700 -1.574 0.00 0.00 -0.007 A ATOM 34 C LIG 1 5.325 -0.308 -2.554 0.00 0.00 +0.007 A ATOM 35 C LIG 1 6.183 -0.291 -3.654 0.00 0.00 +0.000 A ATOM 36 C LIG 1 7.116 0.730 -3.790 0.00 0.00 +0.000 A ATOM 37 C LIG 1 7.198 1.730 -2.822 0.00 0.00 +0.004 A ENDBRANCH 30 33 ENDBRANCH 29 30 ENDBRANCH 23 29 ENDBRANCH 22 26 ENDBRANCH 1 22 TORSDOF 11