REMARK Name = BDB052527 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -1.035 -1.032 -0.161 0.00 0.00 -0.437 OA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.342 -0.671 0.091 0.00 0.00 +0.138 A ATOM 3 C LIG 1 -2.639 0.575 0.686 0.00 0.00 +0.026 A ATOM 4 C LIG 1 -4.000 0.922 0.890 0.00 0.00 +0.007 A ATOM 5 C LIG 1 -4.287 2.168 1.494 0.00 0.00 +0.010 A ATOM 6 C LIG 1 -3.275 3.047 1.886 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -1.947 2.705 1.679 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -5.025 0.029 0.463 0.00 0.00 +0.041 A ATOM 9 C LIG 1 -4.680 -1.201 -0.124 0.00 0.00 +0.027 A ATOM 10 C LIG 1 -1.632 1.484 1.084 0.00 0.00 +0.012 A ATOM 11 C LIG 1 -3.348 -1.541 -0.328 0.00 0.00 +0.049 A BRANCH 8 12 ATOM 12 N LIG 1 -6.389 0.340 0.738 0.00 0.00 -0.285 N ATOM 13 H LIG 1 -6.569 0.209 1.733 0.00 0.00 +0.155 HD BRANCH 12 14 ATOM 14 C LIG 1 -7.432 -0.026 -0.038 0.00 0.00 +0.198 A ATOM 15 N LIG 1 -7.369 0.075 -1.404 0.00 0.00 -0.326 N ATOM 16 H LIG 1 -6.566 0.406 -1.917 0.00 0.00 +0.169 HD ATOM 17 C LIG 1 -8.570 -0.331 -1.922 0.00 0.00 +0.067 A ATOM 18 C LIG 1 -9.330 -0.645 -0.800 0.00 0.00 +0.091 A ATOM 19 C LIG 1 -10.645 -1.101 -0.971 0.00 0.00 +0.030 A ATOM 20 C LIG 1 -11.149 -1.226 -2.273 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -10.361 -0.901 -3.380 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -9.046 -0.443 -3.230 0.00 0.00 +0.028 A ATOM 23 N LIG 1 -8.615 -0.435 0.355 0.00 0.00 -0.214 NA ENDBRANCH 12 14 ENDBRANCH 8 12 ENDBRANCH 1 2 BRANCH 1 25 ATOM 24 C LIG 1 1.005 -1.742 0.857 0.00 0.00 +0.062 A ATOM 25 C LIG 1 -0.396 -1.768 0.837 0.00 0.00 +0.230 A ATOM 26 N LIG 1 -1.162 -2.464 1.718 0.00 0.00 -0.220 NA ATOM 27 C LIG 1 -0.521 -3.135 2.695 0.00 0.00 +0.114 A ATOM 28 C LIG 1 0.854 -3.159 2.831 0.00 0.00 +0.021 A ATOM 29 C LIG 1 1.617 -2.455 1.902 0.00 0.00 +0.017 A BRANCH 24 32 ATOM 30 C LIG 1 3.628 0.399 -0.431 0.00 0.00 +0.216 A ATOM 31 N LIG 1 2.843 -0.291 0.408 0.00 0.00 -0.214 NA ATOM 32 C LIG 1 1.826 -1.009 -0.119 0.00 0.00 +0.081 A ATOM 33 C LIG 1 1.610 -1.068 -1.481 0.00 0.00 +0.048 A ATOM 34 C LIG 1 2.471 -0.337 -2.259 0.00 0.00 +0.116 A ATOM 35 N LIG 1 3.479 0.397 -1.760 0.00 0.00 -0.223 NA BRANCH 30 36 ATOM 36 N LIG 1 4.665 1.174 0.060 0.00 0.00 -0.313 N ATOM 37 H LIG 1 5.308 1.324 -0.722 0.00 0.00 +0.149 HD BRANCH 36 38 ATOM 38 C LIG 1 5.333 0.634 1.230 0.00 0.00 +0.106 C BRANCH 38 39 ATOM 39 C LIG 1 6.615 1.428 1.520 0.00 0.00 +0.037 C BRANCH 39 42 ATOM 40 C LIG 1 7.525 2.903 -1.237 0.00 0.00 +0.105 C ATOM 41 N LIG 1 7.393 1.496 -0.876 0.00 0.00 -0.302 NA ATOM 42 C LIG 1 7.771 1.221 0.523 0.00 0.00 +0.058 C ATOM 43 C LIG 1 8.310 -0.219 0.509 0.00 0.00 +0.020 C ATOM 44 C LIG 1 8.210 -0.667 -0.941 0.00 0.00 +0.017 C ATOM 45 C LIG 1 8.231 0.637 -1.713 0.00 0.00 +0.084 C ENDBRANCH 39 42 ENDBRANCH 38 39 ENDBRANCH 36 38 ENDBRANCH 30 36 ENDBRANCH 24 32 ENDBRANCH 1 25 TORSDOF 9