REMARK Name = BDB057510 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.760 -1.666 0.303 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -0.607 -1.949 0.281 0.00 0.00 +0.046 A ATOM 3 C LIG 1 -1.402 -1.559 -0.799 0.00 0.00 +0.007 A ATOM 4 C LIG 1 -0.838 -0.875 -1.881 0.00 0.00 -0.045 A ATOM 5 C LIG 1 0.532 -0.585 -1.854 0.00 0.00 +0.007 A ATOM 6 C LIG 1 1.326 -0.978 -0.770 0.00 0.00 +0.046 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 1.412 -2.101 1.423 0.00 0.00 -0.492 OA BRANCH 7 8 ATOM 8 C LIG 1 2.832 -1.942 1.487 0.00 0.00 +0.235 C BRANCH 8 9 ATOM 9 C LIG 1 3.204 -0.576 2.059 0.00 0.00 +0.098 C BRANCH 9 12 ATOM 10 C LIG 1 5.268 -0.595 4.663 0.00 0.00 +0.065 C ATOM 11 C LIG 1 5.518 -0.399 3.218 0.00 0.00 +0.036 A ATOM 12 C LIG 1 4.677 -0.386 2.126 0.00 0.00 +0.066 A ATOM 13 N LIG 1 5.395 -0.164 0.975 0.00 0.00 -0.232 NA ATOM 14 C LIG 1 6.662 -0.033 1.332 0.00 0.00 +0.139 A ATOM 15 N LIG 1 6.767 -0.169 2.698 0.00 0.00 -0.342 N ATOM 16 H LIG 1 7.623 -0.109 3.227 0.00 0.00 +0.167 HD BRANCH 14 17 ATOM 17 C LIG 1 7.789 0.220 0.425 0.00 0.00 +0.017 A ATOM 18 C LIG 1 9.114 0.338 0.872 0.00 0.00 +0.011 A ATOM 19 C LIG 1 10.155 0.579 -0.031 0.00 0.00 +0.001 A ATOM 20 C LIG 1 9.888 0.703 -1.392 0.00 0.00 +0.000 A ATOM 21 C LIG 1 8.580 0.588 -1.854 0.00 0.00 +0.001 A ATOM 22 C LIG 1 7.541 0.348 -0.951 0.00 0.00 +0.011 A ENDBRANCH 14 17 ENDBRANCH 9 12 ENDBRANCH 8 9 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 23 ATOM 23 C LIG 1 -1.695 -0.435 -3.046 0.00 0.00 +0.068 C BRANCH 23 24 ATOM 24 CA LIG 1 -2.426 0.898 -2.788 0.00 0.00 +0.184 C BRANCH 24 25 ATOM 25 C LIG 1 -2.870 1.440 -4.147 0.00 0.00 +0.326 C ATOM 26 O LIG 1 -3.687 0.942 -4.906 0.00 0.00 -0.249 OA BRANCH 25 27 ATOM 27 OXT LIG 1 -2.241 2.586 -4.492 0.00 0.00 -0.479 OA ATOM 28 HXT LIG 1 -2.651 2.818 -5.353 0.00 0.00 +0.295 HD ENDBRANCH 25 27 ENDBRANCH 24 25 BRANCH 24 29 ATOM 29 N LIG 1 -3.589 0.678 -1.901 0.00 0.00 -0.331 N ATOM 30 H LIG 1 -4.234 -0.022 -2.301 0.00 0.00 +0.147 HD BRANCH 29 31 ATOM 31 C LIG 1 -4.341 1.750 -1.394 0.00 0.00 +0.039 A ATOM 32 C LIG 1 -5.629 1.516 -0.855 0.00 0.00 +0.043 A ATOM 33 C LIG 1 -6.391 2.558 -0.300 0.00 0.00 +0.013 A ATOM 34 C LIG 1 -5.858 3.840 -0.218 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -4.569 4.079 -0.682 0.00 0.00 +0.002 A ATOM 36 C LIG 1 -3.817 3.043 -1.251 0.00 0.00 +0.023 A BRANCH 32 37 ATOM 37 C LIG 1 -6.215 0.151 -0.904 0.00 0.00 +0.195 C ATOM 38 O LIG 1 -6.146 -0.497 -1.946 0.00 0.00 -0.287 OA BRANCH 37 39 ATOM 39 C LIG 1 -6.868 -0.446 0.290 0.00 0.00 +0.022 A ATOM 40 C LIG 1 -6.458 -0.125 1.591 0.00 0.00 +0.012 A ATOM 41 C LIG 1 -7.090 -0.717 2.686 0.00 0.00 +0.001 A ATOM 42 C LIG 1 -8.122 -1.635 2.487 0.00 0.00 +0.000 A ATOM 43 C LIG 1 -8.520 -1.970 1.193 0.00 0.00 +0.001 A ATOM 44 C LIG 1 -7.891 -1.382 0.095 0.00 0.00 +0.012 A ENDBRANCH 37 39 ENDBRANCH 32 37 ENDBRANCH 29 31 ENDBRANCH 24 29 ENDBRANCH 23 24 ENDBRANCH 4 23 TORSDOF 13