REMARK Name = BDB043063 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.044 0.173 0.254 0.00 0.00 +0.068 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 2.226 0.035 -0.441 0.00 0.00 +0.121 A ATOM 3 C LIG 1 1.642 1.169 0.120 0.00 0.00 +0.046 A ATOM 4 C LIG 1 0.262 1.211 0.350 0.00 0.00 +0.007 A ATOM 5 C LIG 1 -0.551 0.119 0.022 0.00 0.00 -0.045 A ATOM 6 C LIG 1 0.038 -1.017 -0.540 0.00 0.00 +0.007 A ATOM 7 C LIG 1 1.415 -1.054 -0.769 0.00 0.00 +0.046 A BRANCH 2 8 ATOM 8 O LIG 1 3.551 -0.149 -0.715 0.00 0.00 -0.490 OA BRANCH 8 9 ATOM 9 C LIG 1 4.482 0.892 -0.399 0.00 0.00 +0.248 C BRANCH 9 10 ATOM 10 C LIG 1 4.920 0.853 1.075 0.00 0.00 +0.150 C BRANCH 10 12 ATOM 11 C LIG 1 5.162 -1.590 1.530 0.00 0.00 +0.134 C ATOM 12 N LIG 1 5.791 -0.285 1.388 0.00 0.00 -0.285 N BRANCH 12 13 ATOM 13 C LIG 1 7.085 -0.274 0.988 0.00 0.00 +0.291 A ATOM 14 O LIG 1 7.619 0.932 0.609 0.00 0.00 -0.424 OA ATOM 15 C LIG 1 8.905 0.638 0.271 0.00 0.00 +0.157 A ATOM 16 C LIG 1 9.089 -0.719 0.459 0.00 0.00 +0.111 A ATOM 17 C LIG 1 10.342 -1.279 0.178 0.00 0.00 +0.031 A ATOM 18 C LIG 1 11.358 -0.427 -0.284 0.00 0.00 +0.002 A ATOM 19 C LIG 1 11.129 0.944 -0.461 0.00 0.00 +0.004 A ATOM 20 C LIG 1 9.881 1.516 -0.184 0.00 0.00 +0.048 A ATOM 21 N LIG 1 7.928 -1.285 0.913 0.00 0.00 -0.195 NA ENDBRANCH 12 13 ENDBRANCH 10 12 ENDBRANCH 9 10 ENDBRANCH 8 9 ENDBRANCH 2 8 ENDBRANCH 1 5 BRANCH 1 22 ATOM 22 CA LIG 1 -2.847 0.458 -1.029 0.00 0.00 +0.184 C BRANCH 22 23 ATOM 23 C LIG 1 -2.549 1.892 -1.483 0.00 0.00 +0.326 C ATOM 24 O LIG 1 -2.798 2.915 -0.860 0.00 0.00 -0.249 OA BRANCH 23 25 ATOM 25 OXT LIG 1 -1.964 1.962 -2.698 0.00 0.00 -0.479 OA ATOM 26 HXT LIG 1 -1.865 2.923 -2.860 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 22 23 BRANCH 22 27 ATOM 27 N LIG 1 -4.303 0.349 -0.783 0.00 0.00 -0.328 N ATOM 28 H LIG 1 -4.638 1.072 -0.141 0.00 0.00 +0.147 HD BRANCH 27 29 ATOM 29 C LIG 1 -4.880 -0.891 -0.478 0.00 0.00 +0.071 A ATOM 30 C LIG 1 -6.004 -0.945 0.371 0.00 0.00 +0.149 A ATOM 31 C LIG 1 -6.633 -2.156 0.681 0.00 0.00 +0.048 A ATOM 32 C LIG 1 -6.178 -3.336 0.101 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -5.100 -3.300 -0.780 0.00 0.00 +0.002 A ATOM 34 C LIG 1 -4.463 -2.088 -1.072 0.00 0.00 +0.026 A BRANCH 30 35 ATOM 35 O LIG 1 -6.421 0.228 0.971 0.00 0.00 -0.454 OA BRANCH 35 36 ATOM 36 C LIG 1 -7.720 0.618 0.728 0.00 0.00 +0.129 A ATOM 37 C LIG 1 -8.304 0.571 -0.541 0.00 0.00 +0.046 A ATOM 38 C LIG 1 -9.615 1.016 -0.717 0.00 0.00 +0.004 A ATOM 39 C LIG 1 -10.334 1.518 0.368 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -9.742 1.585 1.630 0.00 0.00 +0.004 A ATOM 41 C LIG 1 -8.431 1.141 1.808 0.00 0.00 +0.046 A ENDBRANCH 35 36 ENDBRANCH 30 35 ENDBRANCH 27 29 ENDBRANCH 22 27 ENDBRANCH 1 22 TORSDOF 13