REMARK  Name = BDB056931
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.041  -5.028   0.672  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -0.612  -4.130  -0.355  0.00  0.00    +0.217 C 
ATOM      3  N   LIG    1       -0.732  -2.798   0.039  0.00  0.00    -0.265 N 
ATOM      4  C   LIG    1       -1.984  -2.091  -0.289  0.00  0.00    +0.102 C 
ATOM      5  C   LIG    1       -2.075  -0.805   0.549  0.00  0.00    +0.128 C 
ATOM      6  N   LIG    1       -0.945   0.115   0.348  0.00  0.00    -0.322 N 
ATOM      7  C   LIG    1        0.305  -0.527   0.163  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1        1.473   0.258   0.001  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        2.747  -0.292  -0.195  0.00  0.00    -0.020 A 
ATOM     10  C   LIG    1        2.859  -1.676  -0.268  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1        1.722  -2.483  -0.177  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1        0.439  -1.939   0.028  0.00  0.00    +0.058 A 
ATOM     13  O   LIG    1       -1.082  -4.599  -1.389  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   9  14
ATOM     14  C   LIG    1        3.937   0.568  -0.335  0.00  0.00    -0.042 C 
ATOM     15  C   LIG    1        4.178   1.647   0.695  0.00  0.00    +0.050 C 
ATOM     16  C   LIG    1        5.245   2.657   0.240  0.00  0.00    +0.086 C 
ATOM     17  N   LIG    1        6.409   1.995  -0.361  0.00  0.00    -0.312 NA
ATOM     18  H   LIG    1        6.776   1.316   0.305  0.00  0.00    +0.122 HD
ATOM     19  C   LIG    1        6.005   1.267  -1.567  0.00  0.00    +0.108 C 
ATOM     20  C   LIG    1        4.775   0.428  -1.380  0.00  0.00    -0.008 C 
ENDBRANCH   9  14
BRANCH   4  21
ATOM     21  C   LIG    1       -3.201  -2.943   0.052  0.00  0.00    +0.011 C 
ATOM     22  C   LIG    1       -3.916  -3.752  -1.006  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1       -4.576  -2.534  -0.432  0.00  0.00    +0.006 C 
ENDBRANCH   4  21
BRANCH   6  24
ATOM     24  C   LIG    1       -0.966   1.289   1.249  0.00  0.00    +0.140 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.163   2.185   0.967  0.00  0.00    -0.025 A 
ATOM     26  C   LIG    1       -2.239   2.990  -0.192  0.00  0.00    -0.018 A 
ATOM     27  C   LIG    1       -3.373   3.797  -0.392  0.00  0.00    +0.006 A 
ATOM     28  C   LIG    1       -4.420   3.802   0.528  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -4.348   3.008   1.667  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -3.228   2.207   1.887  0.00  0.00    +0.005 A 
BRANCH  26  31
ATOM     31  C   LIG    1       -1.114   3.051  -1.196  0.00  0.00    +0.191 C 
BRANCH  31  32
ATOM     32  O   LIG    1       -0.042   3.831  -0.675  0.00  0.00    -0.390 OA
ATOM     33  H   LIG    1       -0.436   4.497  -0.086  0.00  0.00    +0.210 HD
ENDBRANCH  31  32
ENDBRANCH  26  31
ENDBRANCH  24  25
ENDBRANCH   6  24
TORSDOF 6