REMARK Name = BDB022609 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.527 0.993 -1.869 0.00 0.00 -0.309 N ATOM 2 H LIG 1 0.010 0.529 -2.603 0.00 0.00 +0.149 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -1.720 0.364 -1.577 0.00 0.00 +0.221 A ATOM 4 N LIG 1 -1.915 -0.926 -2.086 0.00 0.00 -0.183 N ATOM 5 C LIG 1 -3.065 -1.614 -1.840 0.00 0.00 +0.166 A ATOM 6 C LIG 1 -2.922 -2.825 -2.487 0.00 0.00 +0.019 A ATOM 7 C LIG 1 -1.637 -2.740 -3.094 0.00 0.00 +0.141 A ATOM 8 N LIG 1 -4.039 -1.047 -1.085 0.00 0.00 -0.195 NA ATOM 9 C LIG 1 -3.822 0.162 -0.632 0.00 0.00 +0.220 A ATOM 10 N LIG 1 -1.020 -1.576 -2.863 0.00 0.00 -0.170 NA ATOM 11 N LIG 1 -2.673 0.892 -0.863 0.00 0.00 -0.181 NA BRANCH 6 12 ATOM 12 C LIG 1 -3.901 -3.959 -2.527 0.00 0.00 +0.018 C ATOM 13 C LIG 1 -4.253 -4.359 -3.962 0.00 0.00 +0.012 C ATOM 14 C LIG 1 -3.387 -5.168 -1.743 0.00 0.00 +0.012 C ENDBRANCH 6 12 BRANCH 9 15 ATOM 15 N LIG 1 -4.749 0.807 0.136 0.00 0.00 -0.310 N ATOM 16 H LIG 1 -4.355 1.618 0.597 0.00 0.00 +0.149 HD BRANCH 15 17 ATOM 17 C LIG 1 -5.815 0.114 0.845 0.00 0.00 +0.077 C ATOM 18 C LIG 1 -6.916 1.112 1.228 0.00 0.00 +0.050 C ATOM 19 C LIG 1 -6.756 1.563 2.670 0.00 0.00 +0.161 C ATOM 20 O LIG 1 -6.835 0.481 3.598 0.00 0.00 -0.380 OA ATOM 21 C LIG 1 -6.326 -0.767 3.127 0.00 0.00 +0.161 C ATOM 22 C LIG 1 -5.244 -0.604 2.073 0.00 0.00 +0.050 C ENDBRANCH 15 17 ENDBRANCH 9 15 ENDBRANCH 1 3 BRANCH 1 23 ATOM 23 C LIG 1 -0.396 2.430 -1.821 0.00 0.00 +0.139 C BRANCH 23 26 ATOM 24 C LIG 1 3.404 2.765 -1.494 0.00 0.00 +0.034 A ATOM 25 C LIG 1 2.069 2.412 -1.248 0.00 0.00 +0.028 A ATOM 26 C LIG 1 1.034 2.820 -2.109 0.00 0.00 -0.029 A ATOM 27 C LIG 1 1.353 3.591 -3.231 0.00 0.00 +0.005 A ATOM 28 C LIG 1 2.677 3.948 -3.482 0.00 0.00 +0.002 A ATOM 29 C LIG 1 3.696 3.538 -2.618 0.00 0.00 +0.023 A BRANCH 24 31 ATOM 30 C LIG 1 5.733 2.531 -0.598 0.00 0.00 +0.222 C ATOM 31 N LIG 1 4.370 2.301 -0.575 0.00 0.00 -0.285 N ATOM 32 H LIG 1 4.005 1.731 0.178 0.00 0.00 +0.155 HD ATOM 33 O LIG 1 6.338 3.203 -1.430 0.00 0.00 -0.275 OA BRANCH 30 37 ATOM 34 C LIG 1 6.605 -1.296 2.378 0.00 0.00 +0.239 C ATOM 35 N LIG 1 6.511 0.022 1.994 0.00 0.00 -0.297 N ATOM 36 C LIG 1 6.372 0.367 0.586 0.00 0.00 +0.120 C ATOM 37 C LIG 1 6.508 1.885 0.539 0.00 0.00 +0.094 C ATOM 38 C LIG 1 6.072 2.333 1.935 0.00 0.00 +0.033 C ATOM 39 C LIG 1 6.577 1.212 2.829 0.00 0.00 +0.109 C ATOM 40 O LIG 1 6.475 -2.223 1.583 0.00 0.00 -0.271 OA BRANCH 34 42 ATOM 41 C LIG 1 6.848 -2.801 4.305 0.00 0.00 +0.013 C ATOM 42 C LIG 1 6.882 -1.553 3.818 0.00 0.00 +0.060 C ENDBRANCH 34 42 ENDBRANCH 30 37 ENDBRANCH 24 31 ENDBRANCH 23 26 ENDBRANCH 1 23 TORSDOF 9