REMARK Name = BDB017471 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.453 0.293 1.692 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -1.312 1.464 0.922 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -0.070 1.741 0.340 0.00 0.00 +0.067 A ATOM 4 C LIG 1 1.044 0.928 0.500 0.00 0.00 +0.027 A ATOM 5 C LIG 1 2.079 1.567 -0.249 0.00 0.00 +0.093 A ATOM 6 N LIG 1 1.635 2.692 -0.831 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 0.918 -0.229 1.290 0.00 0.00 +0.012 A ATOM 8 N LIG 1 0.349 2.770 -0.456 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -0.198 3.558 -0.782 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -0.324 -0.523 1.874 0.00 0.00 +0.005 A ENDROOT BRANCH 1 18 ATOM 11 N LIG 1 -6.106 0.441 0.814 0.00 0.00 -0.270 N ATOM 12 C LIG 1 -5.370 0.131 -0.353 0.00 0.00 +0.040 A ATOM 13 C LIG 1 -4.109 -0.371 0.019 0.00 0.00 -0.010 A ATOM 14 C LIG 1 -3.220 -0.785 -0.966 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -3.590 -0.669 -2.308 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -4.843 -0.149 -2.662 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -4.020 -0.350 1.517 0.00 0.00 +0.081 C ATOM 18 C LIG 1 -2.779 -0.044 2.333 0.00 0.00 +0.040 C ATOM 19 C LIG 1 -3.339 -1.451 2.279 0.00 0.00 +0.031 C ATOM 20 C LIG 1 -5.749 0.256 -1.679 0.00 0.00 +0.024 A ATOM 21 C LIG 1 -5.351 0.206 1.962 0.00 0.00 +0.231 C ATOM 22 O LIG 1 -5.654 0.408 3.128 0.00 0.00 -0.274 OA BRANCH 11 23 ATOM 23 C LIG 1 -7.422 1.036 0.841 0.00 0.00 +0.114 C BRANCH 23 24 ATOM 24 C LIG 1 -8.495 0.202 1.556 0.00 0.00 +0.022 C BRANCH 24 26 ATOM 25 C LIG 1 -9.533 -0.834 -0.537 0.00 0.00 +0.007 C ATOM 26 C LIG 1 -8.990 -1.085 0.868 0.00 0.00 -0.016 C ATOM 27 C LIG 1 -7.953 -2.206 0.856 0.00 0.00 +0.007 C ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 11 23 ENDBRANCH 1 18 BRANCH 5 28 ATOM 28 C LIG 1 3.422 1.075 -0.372 0.00 0.00 +0.031 C ATOM 29 C LIG 1 4.398 1.678 -1.072 0.00 0.00 +0.010 C BRANCH 29 30 ATOM 30 C LIG 1 5.771 1.167 -1.177 0.00 0.00 -0.025 A ATOM 31 C LIG 1 6.835 2.075 -1.143 0.00 0.00 +0.008 A ATOM 32 C LIG 1 8.156 1.631 -1.262 0.00 0.00 +0.005 A ATOM 33 C LIG 1 8.437 0.269 -1.426 0.00 0.00 -0.033 A ATOM 34 C LIG 1 7.369 -0.637 -1.482 0.00 0.00 +0.005 A ATOM 35 C LIG 1 6.049 -0.192 -1.363 0.00 0.00 +0.008 A BRANCH 33 36 ATOM 36 C LIG 1 9.866 -0.214 -1.573 0.00 0.00 +0.119 C BRANCH 36 37 ATOM 37 N LIG 1 10.242 -1.246 -0.590 0.00 0.00 -0.304 NA ATOM 38 C LIG 1 11.533 -1.833 -0.952 0.00 0.00 +0.104 C ATOM 39 C LIG 1 10.311 -0.693 0.766 0.00 0.00 +0.104 C ENDBRANCH 36 37 ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 5 28 TORSDOF 8