REMARK Name = BDB065190 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.920 -1.523 1.631 0.00 0.00 -0.268 OA ATOM 2 C LIG 1 0.623 -0.498 1.011 0.00 0.00 +0.268 C ATOM 3 N LIG 1 -0.720 -0.093 0.930 0.00 0.00 -0.288 N ATOM 4 C LIG 1 -1.207 0.876 -0.057 0.00 0.00 +0.148 C ATOM 5 C LIG 1 -2.679 0.808 -0.373 0.00 0.00 +0.030 A ATOM 6 C LIG 1 -3.349 -0.394 -0.606 0.00 0.00 +0.128 A ATOM 7 C LIG 1 -4.685 -0.403 -0.985 0.00 0.00 +0.065 A ATOM 8 C LIG 1 -5.333 0.813 -1.086 0.00 0.00 +0.114 A ATOM 9 N LIG 1 -4.735 2.002 -0.854 0.00 0.00 -0.263 NA ATOM 10 O LIG 1 -2.698 -1.593 -0.548 0.00 0.00 -0.490 OA ATOM 11 C LIG 1 -2.327 -1.979 0.788 0.00 0.00 +0.248 C ATOM 12 C LIG 1 -3.425 1.972 -0.517 0.00 0.00 +0.119 A ATOM 13 C LIG 1 -1.713 -0.876 1.660 0.00 0.00 +0.149 C ENDROOT BRANCH 2 14 ATOM 14 C LIG 1 1.681 0.310 0.357 0.00 0.00 +0.155 A ATOM 15 C LIG 1 3.018 -0.132 0.082 0.00 0.00 +0.032 A ATOM 16 C LIG 1 3.656 0.956 -0.500 0.00 0.00 +0.066 A ATOM 17 C LIG 1 4.988 0.930 -0.925 0.00 0.00 +0.028 A ATOM 18 C LIG 1 5.691 -0.265 -0.743 0.00 0.00 +0.002 A ATOM 19 C LIG 1 5.084 -1.376 -0.161 0.00 0.00 +0.001 A ATOM 20 N LIG 1 2.716 1.946 -0.526 0.00 0.00 -0.276 N ATOM 21 H LIG 1 2.832 2.890 -0.877 0.00 0.00 +0.189 HD ATOM 22 C LIG 1 3.748 -1.325 0.257 0.00 0.00 +0.012 A ATOM 23 N LIG 1 1.523 1.597 -0.020 0.00 0.00 -0.168 NA ENDBRANCH 2 14 TORSDOF 1