REMARK Name = BDB057549 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -2.176 -0.398 0.440 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -3.578 -0.148 0.019 0.00 0.00 -0.331 N ATOM 3 H LIG 1 -4.226 -0.745 0.557 0.00 0.00 +0.147 HD BRANCH 2 5 ATOM 4 C LIG 1 -5.424 1.449 0.292 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -4.063 1.176 0.021 0.00 0.00 +0.039 A ATOM 6 C LIG 1 -3.261 2.253 -0.388 0.00 0.00 +0.023 A ATOM 7 C LIG 1 -3.761 3.558 -0.443 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -5.086 3.816 -0.107 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -5.920 2.764 0.259 0.00 0.00 +0.013 A BRANCH 4 10 ATOM 10 C LIG 1 -6.342 0.345 0.683 0.00 0.00 +0.195 C ATOM 11 O LIG 1 -5.940 -0.522 1.458 0.00 0.00 -0.287 OA BRANCH 10 15 ATOM 12 C LIG 1 -11.098 -1.037 1.341 0.00 0.00 +0.044 C ATOM 13 C LIG 1 -10.040 -0.398 0.490 0.00 0.00 -0.050 A ATOM 14 C LIG 1 -8.721 -0.305 0.952 0.00 0.00 +0.015 A ATOM 15 C LIG 1 -7.726 0.267 0.149 0.00 0.00 +0.023 A ATOM 16 C LIG 1 -8.040 0.711 -1.141 0.00 0.00 +0.012 A ATOM 17 C LIG 1 -9.350 0.606 -1.611 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -10.344 0.054 -0.801 0.00 0.00 +0.003 A ENDBRANCH 10 15 ENDBRANCH 4 10 ENDBRANCH 2 5 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 -2.149 -1.543 1.463 0.00 0.00 +0.326 C ATOM 20 O LIG 1 -2.343 -2.730 1.245 0.00 0.00 -0.249 OA BRANCH 19 21 ATOM 21 OXT LIG 1 -1.937 -1.114 2.729 0.00 0.00 -0.479 OA ATOM 22 HXT LIG 1 -2.020 -1.927 3.269 0.00 0.00 +0.295 HD ENDBRANCH 19 21 ENDBRANCH 1 19 BRANCH 1 23 ATOM 23 C LIG 1 -1.337 -0.792 -0.788 0.00 0.00 +0.068 C BRANCH 23 24 ATOM 24 C LIG 1 0.148 -0.813 -0.504 0.00 0.00 -0.045 A ATOM 25 C LIG 1 0.798 -2.014 -0.205 0.00 0.00 +0.007 A ATOM 26 C LIG 1 2.164 -2.022 0.082 0.00 0.00 +0.046 A ATOM 27 C LIG 1 2.905 -0.838 0.077 0.00 0.00 +0.121 A ATOM 28 C LIG 1 2.261 0.361 -0.221 0.00 0.00 +0.046 A ATOM 29 C LIG 1 0.891 0.374 -0.509 0.00 0.00 +0.007 A BRANCH 27 30 ATOM 30 O LIG 1 4.228 -1.001 0.373 0.00 0.00 -0.490 OA BRANCH 30 31 ATOM 31 C LIG 1 5.084 0.145 0.405 0.00 0.00 +0.248 C BRANCH 31 32 ATOM 32 C LIG 1 5.602 0.523 -0.994 0.00 0.00 +0.150 C BRANCH 32 33 ATOM 33 N LIG 1 6.580 -0.433 -1.524 0.00 0.00 -0.285 N ATOM 34 C LIG 1 6.069 -1.694 -2.042 0.00 0.00 +0.134 C BRANCH 33 35 ATOM 35 C LIG 1 7.844 -0.445 -1.035 0.00 0.00 +0.291 A ATOM 36 O LIG 1 8.254 0.653 -0.320 0.00 0.00 -0.424 OA ATOM 37 C LIG 1 9.537 0.361 0.034 0.00 0.00 +0.157 A ATOM 38 C LIG 1 9.841 -0.887 -0.478 0.00 0.00 +0.111 A ATOM 39 C LIG 1 11.115 -1.423 -0.248 0.00 0.00 +0.031 A ATOM 40 C LIG 1 12.027 -0.660 0.497 0.00 0.00 +0.002 A ATOM 41 C LIG 1 11.679 0.602 0.998 0.00 0.00 +0.004 A ATOM 42 C LIG 1 10.409 1.150 0.774 0.00 0.00 +0.048 A ATOM 43 N LIG 1 8.759 -1.386 -1.154 0.00 0.00 -0.195 NA ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 13