REMARK  Name = BDB054691
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.211  -2.061  -0.682  0.00  0.00    -0.282 N 
ATOM      2  H   LIG    1        0.245  -2.956  -0.807  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.565  -2.330  -0.462  0.00  0.00    +0.221 A 
ATOM      4  N   LIG    1       -2.451  -1.340  -0.265  0.00  0.00    -0.196 NA
ATOM      5  C   LIG    1       -3.709  -1.761  -0.070  0.00  0.00    +0.147 A 
ATOM      6  C   LIG    1       -4.132  -3.078  -0.056  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1       -5.526  -3.067   0.186  0.00  0.00    +0.050 A 
ATOM      8  C   LIG    1       -5.920  -1.747   0.314  0.00  0.00    +0.122 A 
ATOM      9  C   LIG    1       -3.150  -4.036  -0.266  0.00  0.00    +0.126 A 
ATOM     10  N   LIG    1       -4.804  -0.952   0.150  0.00  0.00    -0.314 N 
ATOM     11  N   LIG    1       -1.871  -3.647  -0.468  0.00  0.00    -0.222 NA
BRANCH  10  12
ATOM     12  C   LIG    1       -4.728   0.500   0.198  0.00  0.00    +0.090 C 
ATOM     13  C   LIG    1       -5.035   1.103   1.575  0.00  0.00    +0.025 C 
ATOM     14  C   LIG    1       -5.544   2.499   1.250  0.00  0.00    +0.002 C 
ATOM     15  C   LIG    1       -6.396   2.279   0.010  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1       -5.629   1.241  -0.807  0.00  0.00    +0.025 C 
ENDBRANCH  10  12
BRANCH   8  17
ATOM     17  C   LIG    1       -7.247  -1.297   0.572  0.00  0.00    +0.117 C 
ATOM     18  N   LIG    1       -8.324  -0.925   0.783  0.00  0.00    -0.189 NA
ENDBRANCH   8  17
ENDBRANCH   1   3
BRANCH   1  23
ATOM     19  C   LIG    1        2.264   0.494  -0.989  0.00  0.00    +0.106 A 
ATOM     20  N   LIG    1        1.100   1.221  -0.814  0.00  0.00    -0.344 N 
ATOM     21  C   LIG    1        1.006   2.665  -0.786  0.00  0.00    +0.149 C 
ATOM     22  C   LIG    1        0.033   0.376  -0.642  0.00  0.00    +0.109 A 
ATOM     23  C   LIG    1        0.487  -0.913  -0.757  0.00  0.00    +0.052 A 
ATOM     24  C   LIG    1        1.879  -0.842  -0.993  0.00  0.00    +0.055 A 
BRANCH  19  30
ATOM     25  C   LIG    1        8.255  -0.039   1.448  0.00  0.00    +0.105 C 
ATOM     26  N   LIG    1        7.150  -0.589   0.667  0.00  0.00    -0.302 NA
ATOM     27  C   LIG    1        5.866  -0.387   1.368  0.00  0.00    +0.103 C 
ATOM     28  C   LIG    1        4.641  -0.519   0.442  0.00  0.00    +0.123 C 
ATOM     29  N   LIG    1        4.687   0.443  -0.666  0.00  0.00    -0.294 N 
ATOM     30  C   LIG    1        3.574   1.087  -1.204  0.00  0.00    +0.263 C 
ATOM     31  O   LIG    1        3.704   2.133  -1.840  0.00  0.00    -0.268 OA
ATOM     32  C   LIG    1        6.012   0.962  -1.002  0.00  0.00    +0.123 C 
ATOM     33  C   LIG    1        7.128  -0.056  -0.711  0.00  0.00    +0.103 C 
ENDBRANCH  19  30
ENDBRANCH   1  23
TORSDOF 5