REMARK Name = BDB028117 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.176 1.309 -2.377 0.00 0.00 +0.046 C ATOM 2 C LIG 1 3.265 1.640 -1.228 0.00 0.00 -0.017 A ATOM 3 C LIG 1 2.555 2.861 -1.203 0.00 0.00 +0.116 A ATOM 4 N LIG 1 2.537 3.890 -2.112 0.00 0.00 -0.129 NA ATOM 5 N LIG 1 1.715 4.829 -1.664 0.00 0.00 -0.065 NA ATOM 6 N LIG 1 1.211 4.397 -0.494 0.00 0.00 -0.244 N ATOM 7 C LIG 1 0.244 5.209 0.212 0.00 0.00 +0.146 C ATOM 8 C LIG 1 -1.175 4.638 0.170 0.00 0.00 +0.023 C ATOM 9 C LIG 1 -1.791 4.649 -1.237 0.00 0.00 +0.002 C ATOM 10 C LIG 1 -3.109 3.867 -1.308 0.00 0.00 +0.000 C ATOM 11 C LIG 1 -2.874 2.355 -1.288 0.00 0.00 +0.005 C ATOM 12 C LIG 1 -4.183 1.561 -1.236 0.00 0.00 +0.037 C ATOM 13 C LIG 1 -3.884 0.107 -0.938 0.00 0.00 -0.023 A ATOM 14 C LIG 1 -3.613 -0.424 0.354 0.00 0.00 +0.053 A ATOM 15 C LIG 1 -3.173 -1.749 0.523 0.00 0.00 +0.012 A ATOM 16 C LIG 1 -2.928 -1.952 1.909 0.00 0.00 +0.028 A ATOM 17 C LIG 1 -3.236 -0.788 2.563 0.00 0.00 +0.086 A ATOM 18 C LIG 1 -3.028 -2.573 -0.614 0.00 0.00 +0.046 A ATOM 19 C LIG 1 -2.504 -3.939 -0.443 0.00 0.00 +0.248 C ATOM 20 N LIG 1 -1.238 -4.241 -0.948 0.00 0.00 -0.293 N ATOM 21 C LIG 1 -0.273 -3.250 -1.425 0.00 0.00 +0.143 C ATOM 22 C LIG 1 0.889 -3.080 -0.469 0.00 0.00 -0.027 A ATOM 23 C LIG 1 1.131 -4.007 0.560 0.00 0.00 -0.041 A ATOM 24 C LIG 1 2.199 -3.791 1.436 0.00 0.00 +0.004 A ATOM 25 C LIG 1 3.051 -2.694 1.270 0.00 0.00 +0.004 A ATOM 26 C LIG 1 2.865 -1.788 0.216 0.00 0.00 -0.039 A ATOM 27 C LIG 1 3.806 -0.608 -0.073 0.00 0.00 +0.060 C ATOM 28 C LIG 1 0.220 -5.201 0.755 0.00 0.00 +0.054 C ATOM 29 C LIG 1 1.772 -2.002 -0.646 0.00 0.00 +0.009 A ATOM 30 C LIG 1 -0.620 -5.481 -0.497 0.00 0.00 +0.113 C ATOM 31 O LIG 1 -3.201 -4.748 0.167 0.00 0.00 -0.270 OA ATOM 32 C LIG 1 -3.364 -2.099 -1.883 0.00 0.00 +0.014 A ATOM 33 N LIG 1 -3.670 0.120 1.631 0.00 0.00 -0.349 N ATOM 34 C LIG 1 -4.164 1.428 1.998 0.00 0.00 +0.149 C ATOM 35 C LIG 1 -3.768 -0.778 -2.035 0.00 0.00 +0.006 A ATOM 36 C LIG 1 1.717 3.173 -0.140 0.00 0.00 +0.089 A ATOM 37 C LIG 1 1.528 2.328 0.953 0.00 0.00 +0.030 A ATOM 38 C LIG 1 2.223 1.114 0.933 0.00 0.00 +0.007 A ATOM 39 C LIG 1 3.071 0.746 -0.134 0.00 0.00 -0.034 A ENDROOT BRANCH 27 40 ATOM 40 C LIG 1 5.023 -0.448 0.855 0.00 0.00 +0.133 C BRANCH 40 41 ATOM 41 C LIG 1 6.059 -1.502 0.583 0.00 0.00 +0.306 C ATOM 42 O LIG 1 6.455 -1.873 -0.508 0.00 0.00 -0.251 OA BRANCH 41 43 ATOM 43 O LIG 1 6.584 -2.015 1.712 0.00 0.00 -0.481 OA ATOM 44 H LIG 1 7.251 -2.659 1.392 0.00 0.00 +0.295 HD ENDBRANCH 41 43 ENDBRANCH 40 41 ENDBRANCH 27 40 TORSDOF 3