REMARK  Name = BDB005093
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.829   2.281   0.314  0.00  0.00    +0.138 C 
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1       -1.847   1.975  -0.705  0.00  0.00    +0.034 A 
ATOM      3  C   LIG    1       -0.621   1.772  -0.058  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1        0.514   2.532  -0.390  0.00  0.00    -0.029 A 
ATOM      5  C   LIG    1        0.408   3.507  -1.387  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -0.810   3.719  -2.031  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -1.932   2.958  -1.691  0.00  0.00    +0.023 A 
BRANCH   2   9
ATOM      8  C   LIG    1       -4.201   1.130  -0.846  0.00  0.00    +0.248 C 
ATOM      9  N   LIG    1       -2.930   1.165  -0.302  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1       -2.723   0.490   0.422  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1       -4.599   1.746  -1.827  0.00  0.00    -0.270 OA
BRANCH   8  15
ATOM     12  C   LIG    1       -7.960  -2.150  -1.195  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1       -6.988  -1.380  -0.350  0.00  0.00    -0.050 A 
ATOM     14  C   LIG    1       -6.078  -0.497  -0.947  0.00  0.00    +0.016 A 
ATOM     15  C   LIG    1       -5.145   0.198  -0.166  0.00  0.00    +0.037 A 
ATOM     16  C   LIG    1       -5.133   0.024   1.224  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1       -6.028  -0.865   1.820  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -6.943  -1.570   1.036  0.00  0.00    +0.003 A 
ENDBRANCH   8  15
ENDBRANCH   2   9
ENDBRANCH   1   4
BRANCH   1  19
ATOM     19  N   LIG    1        2.311   0.957  -0.061  0.00  0.00    -0.324 N 
ATOM     20  H   LIG    1        2.367   0.872  -1.073  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1        3.551   0.589   0.502  0.00  0.00    +0.130 A 
ATOM     22  C   LIG    1        4.111  -0.667   0.186  0.00  0.00    +0.041 A 
ATOM     23  C   LIG    1        5.355  -0.970   0.773  0.00  0.00    +0.088 A 
ATOM     24  C   LIG    1        5.938  -2.216   0.458  0.00  0.00    +0.063 A 
ATOM     25  C   LIG    1        5.297  -3.129  -0.403  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1        4.066  -2.827  -0.961  0.00  0.00    +0.002 A 
ATOM     27  N   LIG    1        5.947  -0.087   1.608  0.00  0.00    -0.235 NA
ATOM     28  C   LIG    1        5.312   1.063   1.861  0.00  0.00    +0.223 A 
ATOM     29  C   LIG    1        3.477  -1.606  -0.667  0.00  0.00    +0.013 A 
ATOM     30  N   LIG    1        4.143   1.443   1.351  0.00  0.00    -0.220 NA
BRANCH  24  31
ATOM     31  C   LIG    1        7.259  -2.665   1.002  0.00  0.00    +0.244 C 
ATOM     32  O   LIG    1        7.729  -3.763   0.722  0.00  0.00    -0.270 OA
ATOM     33  N   LIG    1        7.945  -1.824   1.825  0.00  0.00    -0.325 N 
ATOM     34  H   LIG    1        7.557  -0.922   2.089  0.00  0.00    +0.145 HD
ATOM     35  H   LIG    1        8.826  -2.127   2.213  0.00  0.00    +0.145 HD
ENDBRANCH  24  31
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 6