REMARK  Name = BDB056914
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.043   0.305  -3.758  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -3.554   0.374  -2.342  0.00  0.00    -0.049 A 
ATOM      3  C   LIG    1       -4.439   0.618  -1.295  0.00  0.00    +0.017 A 
ATOM      4  C   LIG    1       -3.997   0.651   0.042  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1       -2.652   0.438   0.357  0.00  0.00    +0.065 A 
ATOM      6  N   LIG    1       -2.146   0.520   1.669  0.00  0.00    -0.321 N 
ATOM      7  H   LIG    1       -1.131   0.591   1.766  0.00  0.00    +0.169 HD
ATOM      8  C   LIG    1       -2.717   0.415   2.905  0.00  0.00    +0.257 A 
ATOM      9  C   LIG    1       -4.105  -0.030   3.118  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1       -5.168   0.258   2.276  0.00  0.00    +0.035 A 
ATOM     11  C   LIG    1       -6.472  -0.145   2.621  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -6.711  -0.856   3.795  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -5.651  -1.158   4.641  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -4.360  -0.741   4.309  0.00  0.00    +0.014 A 
ATOM     15  O   LIG    1       -2.003   0.599   3.892  0.00  0.00    -0.267 OA
ATOM     16  C   LIG    1       -1.735   0.205  -0.709  0.00  0.00    +0.063 A 
ATOM     17  C   LIG    1       -5.028   1.008   1.027  0.00  0.00    +0.196 A 
ATOM     18  O   LIG    1       -5.866   1.861   0.745  0.00  0.00    -0.287 OA
ATOM     19  C   LIG    1       -2.210   0.159  -2.038  0.00  0.00    +0.018 A 
ENDROOT
BRANCH  16  20
ATOM     20  C   LIG    1       -0.303   0.004  -0.465  0.00  0.00    +0.250 A 
ATOM     21  O   LIG    1        0.490  -0.334  -1.534  0.00  0.00    -0.419 OA
ATOM     22  C   LIG    1        1.724  -0.431  -0.950  0.00  0.00    +0.235 A 
ATOM     23  N   LIG    1        1.697  -0.186   0.345  0.00  0.00    -0.110 NA
ATOM     24  N   LIG    1        0.386   0.097   0.656  0.00  0.00    -0.107 NA
BRANCH  22  25
ATOM     25  C   LIG    1        2.871  -0.787  -1.818  0.00  0.00    +0.202 C 
BRANCH  25  26
ATOM     26  N   LIG    1        4.085  -0.189  -1.300  0.00  0.00    -0.303 N 
ATOM     27  H   LIG    1        4.136  -0.040  -0.299  0.00  0.00    +0.150 HD
ATOM     28  C   LIG    1        5.249  -0.257  -2.032  0.00  0.00    +0.244 C 
ATOM     29  O   LIG    1        5.294  -0.739  -3.158  0.00  0.00    -0.270 OA
BRANCH  28  30
ATOM     30  C   LIG    1        6.484   0.251  -1.372  0.00  0.00    +0.037 A 
ATOM     31  C   LIG    1        7.721  -0.239  -1.810  0.00  0.00    +0.013 A 
ATOM     32  C   LIG    1        8.905   0.209  -1.220  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        8.858   1.154  -0.196  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        7.631   1.658   0.234  0.00  0.00    +0.001 A 
ATOM     35  C   LIG    1        6.444   1.213  -0.353  0.00  0.00    +0.013 A 
ENDBRANCH  28  30
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  16  20
TORSDOF 4