REMARK  Name = BDB016338
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.705   2.345   0.087  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -2.411   1.590  -1.207  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -1.432   0.534  -1.022  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.501   0.913  -0.854  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -1.654  -0.620  -0.256  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -2.923  -1.145   0.086  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -3.006  -2.305   0.886  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.874  -2.988   1.309  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -0.625  -2.528   0.927  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -4.187  -0.630  -0.266  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -4.992  -1.075   0.158  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -4.585   0.350  -1.111  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -5.794   0.586  -1.201  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -0.493  -1.368   0.141  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -3.609   1.082  -1.968  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        0.878  -0.967  -0.241  0.00  0.00    -0.015 A 
ATOM     17  C   LIG    1        1.777  -0.473   0.718  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        3.079  -0.099   0.360  0.00  0.00    +0.016 A 
ATOM     19  C   LIG    1        3.497  -0.231  -0.970  0.00  0.00    +0.011 A 
ATOM     20  C   LIG    1        2.614  -0.720  -1.932  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        1.316  -1.084  -1.570  0.00  0.00    +0.008 A 
BRANCH  18  22
ATOM     22  C   LIG    1        4.008   0.429   1.408  0.00  0.00    +0.132 C 
ATOM     23  N   LIG    1        3.723   0.228   2.661  0.00  0.00    -0.284 NA
ATOM     24  H   LIG    1        4.460   0.729   3.175  0.00  0.00    +0.188 HD
BRANCH  22  25
ATOM     25  N   LIG    1        5.146   1.126   1.029  0.00  0.00    -0.268 N 
ATOM     26  H   LIG    1        4.997   1.753   0.235  0.00  0.00    +0.167 HD
BRANCH  25  27
ATOM     27  N   LIG    1        5.970   1.612   2.079  0.00  0.00    -0.255 NA
ATOM     28  H   LIG    1        6.410   0.810   2.546  0.00  0.00    +0.140 HD
ATOM     29  H   LIG    1        6.759   2.137   1.692  0.00  0.00    +0.140 HD
ENDBRANCH  25  27
ENDBRANCH  22  25
ENDBRANCH  18  22
ENDBRANCH  14  16
TORSDOF 4