REMARK Name = BDB043083 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.984 -0.679 0.945 0.00 0.00 +0.159 C ATOM 2 C LIG 1 -2.576 -0.421 0.365 0.00 0.00 +0.236 C ATOM 3 O LIG 1 -2.396 0.264 -0.646 0.00 0.00 -0.274 OA ATOM 4 N LIG 1 -1.531 -1.040 1.033 0.00 0.00 -0.292 N ATOM 5 C LIG 1 -1.645 -1.725 2.320 0.00 0.00 +0.077 C ATOM 6 C LIG 1 -0.211 -2.178 2.612 0.00 0.00 +0.028 C ATOM 7 C LIG 1 0.643 -1.073 1.989 0.00 0.00 +0.014 C ATOM 8 C LIG 1 2.067 -1.526 1.666 0.00 0.00 +0.021 C ATOM 9 C LIG 1 2.621 -0.750 0.472 0.00 0.00 +0.085 C ATOM 10 N LIG 1 1.836 -0.925 -0.766 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 0.430 -1.310 -0.527 0.00 0.00 +0.107 C ATOM 12 C LIG 1 -2.639 -2.903 2.374 0.00 0.00 +0.022 C ATOM 13 C LIG 1 -3.393 -3.191 1.077 0.00 0.00 +0.004 C ATOM 14 C LIG 1 -0.152 -0.654 0.741 0.00 0.00 +0.094 C ATOM 15 C LIG 1 -4.420 -2.123 0.694 0.00 0.00 +0.032 C ENDROOT BRANCH 1 17 ATOM 16 C LIG 1 -5.043 1.544 0.846 0.00 0.00 +0.230 C ATOM 17 N LIG 1 -4.935 0.254 0.359 0.00 0.00 -0.303 N ATOM 18 H LIG 1 -5.191 0.139 -0.613 0.00 0.00 +0.149 HD ATOM 19 O LIG 1 -4.534 1.898 1.907 0.00 0.00 -0.274 OA BRANCH 16 20 ATOM 20 C LIG 1 -5.832 2.493 -0.093 0.00 0.00 +0.137 C ATOM 21 C LIG 1 -5.981 3.869 0.558 0.00 0.00 +0.034 C BRANCH 20 23 ATOM 22 C LIG 1 -7.840 2.509 -1.497 0.00 0.00 +0.101 C ATOM 23 N LIG 1 -7.133 1.853 -0.408 0.00 0.00 -0.309 NA ATOM 24 H LIG 1 -7.711 1.863 0.435 0.00 0.00 +0.122 HD ENDBRANCH 20 23 ENDBRANCH 16 20 ENDBRANCH 1 17 BRANCH 10 25 ATOM 25 C LIG 1 2.492 -1.829 -1.734 0.00 0.00 +0.092 C BRANCH 25 26 ATOM 26 C LIG 1 3.186 -1.071 -2.876 0.00 0.00 +0.089 C BRANCH 26 27 ATOM 27 C LIG 1 4.310 -0.207 -2.420 0.00 0.00 +0.109 A ATOM 28 N LIG 1 4.094 1.039 -1.888 0.00 0.00 -0.342 N ATOM 29 H LIG 1 3.184 1.451 -1.735 0.00 0.00 +0.167 HD ATOM 30 C LIG 1 5.304 1.582 -1.550 0.00 0.00 +0.066 A ATOM 31 C LIG 1 6.223 0.599 -1.895 0.00 0.00 +0.089 A ATOM 32 C LIG 1 7.588 0.819 -1.652 0.00 0.00 +0.033 A ATOM 33 C LIG 1 7.994 2.039 -1.081 0.00 0.00 -0.048 A ATOM 34 C LIG 1 7.033 3.006 -0.743 0.00 0.00 +0.005 A ATOM 35 C LIG 1 9.446 2.272 -0.782 0.00 0.00 +0.044 C ATOM 36 C LIG 1 5.666 2.800 -0.972 0.00 0.00 +0.028 A ATOM 37 N LIG 1 5.594 -0.496 -2.436 0.00 0.00 -0.232 NA ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 10 25 TORSDOF 6