REMARK Name = BDB055502 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -1.630 -3.567 0.417 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.293 -4.861 0.910 0.00 0.00 +0.326 C ATOM 3 O LIG 1 -2.711 -5.079 2.038 0.00 0.00 -0.249 OA BRANCH 2 4 ATOM 4 OXT LIG 1 -2.392 -5.837 -0.018 0.00 0.00 -0.479 OA ATOM 5 HXT LIG 1 -2.853 -6.555 0.468 0.00 0.00 +0.295 HD ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 6 ATOM 6 N LIG 1 -2.482 -2.375 0.628 0.00 0.00 -0.331 N ATOM 7 H LIG 1 -1.912 -1.529 0.615 0.00 0.00 +0.147 HD BRANCH 6 8 ATOM 8 C LIG 1 -3.737 -2.140 0.069 0.00 0.00 +0.033 A ATOM 9 C LIG 1 -4.444 -0.954 0.409 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -5.718 -0.714 -0.155 0.00 0.00 +0.008 A ATOM 11 C LIG 1 -6.317 -1.637 -1.004 0.00 0.00 +0.000 A ATOM 12 C LIG 1 -5.658 -2.820 -1.295 0.00 0.00 +0.002 A ATOM 13 C LIG 1 -4.392 -3.068 -0.755 0.00 0.00 +0.023 A BRANCH 9 14 ATOM 14 C LIG 1 -3.854 0.075 1.392 0.00 0.00 +0.189 C BRANCH 14 15 ATOM 15 C LIG 1 -2.785 0.961 0.752 0.00 0.00 -0.017 A ATOM 16 C LIG 1 -3.050 1.710 -0.406 0.00 0.00 +0.006 A ATOM 17 C LIG 1 -2.065 2.525 -0.967 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -0.806 2.607 -0.375 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -0.531 1.879 0.780 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -1.516 1.067 1.345 0.00 0.00 +0.006 A ENDBRANCH 14 15 BRANCH 14 21 ATOM 21 N LIG 1 -4.904 0.929 2.028 0.00 0.00 -0.182 NA ATOM 22 N LIG 1 -4.725 1.113 3.251 0.00 0.00 -0.207 NA ATOM 23 H LIG 1 -5.457 1.709 3.659 0.00 0.00 +0.211 HD ENDBRANCH 14 21 ENDBRANCH 9 14 ENDBRANCH 6 8 ENDBRANCH 1 6 BRANCH 1 24 ATOM 24 C LIG 1 -1.039 -3.648 -1.002 0.00 0.00 +0.068 C BRANCH 24 28 ATOM 25 C LIG 1 1.703 -0.412 -1.888 0.00 0.00 +0.121 A ATOM 26 C LIG 1 0.360 -0.331 -2.263 0.00 0.00 +0.046 A ATOM 27 C LIG 1 -0.528 -1.371 -1.980 0.00 0.00 +0.007 A ATOM 28 C LIG 1 -0.082 -2.518 -1.316 0.00 0.00 -0.045 A ATOM 29 C LIG 1 1.262 -2.594 -0.930 0.00 0.00 +0.007 A ATOM 30 C LIG 1 2.148 -1.547 -1.212 0.00 0.00 +0.046 A BRANCH 25 31 ATOM 31 O LIG 1 2.454 0.679 -2.224 0.00 0.00 -0.490 OA BRANCH 31 32 ATOM 32 C LIG 1 3.877 0.604 -2.070 0.00 0.00 +0.248 C BRANCH 32 33 ATOM 33 C LIG 1 4.331 1.026 -0.662 0.00 0.00 +0.147 C BRANCH 33 35 ATOM 34 C LIG 1 3.263 3.266 -0.612 0.00 0.00 +0.131 C ATOM 35 N LIG 1 4.509 2.494 -0.548 0.00 0.00 -0.315 N BRANCH 35 36 ATOM 36 C LIG 1 5.233 2.838 0.624 0.00 0.00 +0.121 A ATOM 37 N LIG 1 5.373 1.942 1.627 0.00 0.00 -0.240 NA ATOM 38 C LIG 1 6.072 2.313 2.723 0.00 0.00 +0.113 A ATOM 39 C LIG 1 6.662 3.552 2.882 0.00 0.00 +0.020 A ATOM 40 C LIG 1 6.531 4.467 1.849 0.00 0.00 +0.005 A ATOM 41 C LIG 1 5.814 4.106 0.711 0.00 0.00 +0.043 A ENDBRANCH 35 36 ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 25 31 ENDBRANCH 24 28 ENDBRANCH 1 24 TORSDOF 14