REMARK  Name = BDB050162
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.928   3.517   0.365  0.00  0.00    +0.093 A 
ATOM      2  N   LIG    1       -2.006   2.648   0.456  0.00  0.00    -0.211 N 
ATOM      3  C   LIG    1       -3.156   3.409   0.325  0.00  0.00    +0.155 A 
ATOM      4  C   LIG    1       -4.390   2.734   0.398  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -4.402   1.408   0.572  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -3.096   0.690   0.675  0.00  0.00    +0.140 A 
ATOM      7  N   LIG    1       -2.886   4.684   0.156  0.00  0.00    -0.234 NA
ATOM      8  N   LIG    1       -1.939   1.293   0.635  0.00  0.00    -0.150 NA
ATOM      9  C   LIG    1       -1.519   4.759   0.186  0.00  0.00    +0.141 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        2.333   1.619   0.059  0.00  0.00    -0.007 A 
ATOM     11  C   LIG    1        0.975   1.941  -0.045  0.00  0.00    +0.019 A 
ATOM     12  C   LIG    1        0.489   3.152   0.465  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1        1.399   4.037   1.065  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1        2.757   3.717   1.164  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        3.226   2.506   0.661  0.00  0.00    +0.009 A 
BRANCH  10  17
ATOM     16  N   LIG    1        4.041  -0.012  -0.465  0.00  0.00    -0.285 NA
ATOM     17  C   LIG    1        2.795   0.323  -0.475  0.00  0.00    +0.113 C 
BRANCH  16  18
ATOM     18  CA  LIG    1        4.331  -1.349  -1.030  0.00  0.00    +0.130 C 
BRANCH  18  20
ATOM     19  C   LIG    1        3.561  -2.637   1.026  0.00  0.00    +0.006 C 
ATOM     20  C   LIG    1        4.722  -2.311   0.098  0.00  0.00    +0.025 C 
ENDBRANCH  18  20
BRANCH  18  21
ATOM     21  C   LIG    1        5.497  -1.181  -2.019  0.00  0.00    +0.182 C 
BRANCH  21  22
ATOM     22  O   LIG    1        5.132  -0.239  -3.027  0.00  0.00    -0.393 OA
ATOM     23  H   LIG    1        4.806   0.532  -2.523  0.00  0.00    +0.209 HD
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH  10  17
ENDBRANCH   1  12
BRANCH   6  24
ATOM     24  N   LIG    1       -3.047  -0.674   0.835  0.00  0.00    -0.323 N 
ATOM     25  H   LIG    1       -2.069  -0.971   0.877  0.00  0.00    +0.148 HD
BRANCH  24  26
ATOM     26  CA  LIG    1       -3.796  -1.604  -0.020  0.00  0.00    +0.097 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.897  -2.942   0.735  0.00  0.00    +0.021 C 
ATOM     28  C   LIG    1       -4.730  -3.986   0.006  0.00  0.00    +0.006 C 
ENDBRANCH  26  27
BRANCH  26  29
ATOM     29  C   LIG    1       -3.079  -1.724  -1.382  0.00  0.00    +0.178 C 
BRANCH  29  30
ATOM     30  O   LIG    1       -1.762  -2.249  -1.212  0.00  0.00    -0.393 OA
ATOM     31  H   LIG    1       -1.350  -2.269  -2.094  0.00  0.00    +0.209 HD
ENDBRANCH  29  30
ENDBRANCH  26  29
ENDBRANCH  24  26
ENDBRANCH   6  24
TORSDOF 11