REMARK  Name = BDB054474
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.128  -1.357  -2.094  0.00  0.00    -0.282 N 
ATOM      2  H   LIG    1        0.868  -1.701  -3.009  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        2.524  -1.284  -2.074  0.00  0.00    +0.221 A 
ATOM      4  N   LIG    1        3.183  -0.870  -0.979  0.00  0.00    -0.195 NA
ATOM      5  C   LIG    1        4.515  -0.854  -1.133  0.00  0.00    +0.164 A 
ATOM      6  C   LIG    1        5.217  -1.204  -2.267  0.00  0.00    +0.057 A 
ATOM      7  C   LIG    1        6.567  -1.005  -1.927  0.00  0.00    +0.146 A 
ATOM      8  N   LIG    1        6.724  -0.561  -0.675  0.00  0.00    -0.177 NA
ATOM      9  C   LIG    1        4.463  -1.621  -3.349  0.00  0.00    +0.127 A 
ATOM     10  N   LIG    1        5.455  -0.483  -0.204  0.00  0.00    -0.243 N 
ATOM     11  N   LIG    1        3.112  -1.656  -3.236  0.00  0.00    -0.222 NA
BRANCH  10  12
ATOM     12  C   LIG    1        5.164  -0.037   1.139  0.00  0.00    +0.110 C 
ATOM     13  C   LIG    1        6.334  -0.069   2.149  0.00  0.00    +0.030 C 
ATOM     14  C   LIG    1        5.991   0.978   3.177  0.00  0.00    -0.006 C 
ATOM     15  C   LIG    1        4.968   1.891   2.588  0.00  0.00    -0.006 C 
ATOM     16  C   LIG    1        4.626   1.076   3.810  0.00  0.00    +0.007 C 
ATOM     17  C   LIG    1        4.656   1.419   1.194  0.00  0.00    +0.030 C 
ENDBRANCH  10  12
ENDBRANCH   1   3
BRANCH   1  22
ATOM     18  C   LIG    1       -1.864  -0.802  -0.226  0.00  0.00    +0.106 A 
ATOM     19  N   LIG    1       -0.873  -0.492   0.690  0.00  0.00    -0.344 N 
ATOM     20  C   LIG    1       -1.096  -0.065   2.055  0.00  0.00    +0.149 C 
ATOM     21  C   LIG    1        0.364  -0.618   0.113  0.00  0.00    +0.109 A 
ATOM     22  C   LIG    1        0.192  -1.071  -1.170  0.00  0.00    +0.052 A 
ATOM     23  C   LIG    1       -1.201  -1.205  -1.379  0.00  0.00    +0.055 A 
BRANCH  18  26
ATOM     24  C   LIG    1       -5.597  -0.179  -0.629  0.00  0.00    +0.102 C 
ATOM     25  N   LIG    1       -4.146  -0.227  -0.868  0.00  0.00    -0.291 N 
ATOM     26  C   LIG    1       -3.284  -0.761   0.079  0.00  0.00    +0.263 C 
ATOM     27  O   LIG    1       -3.712  -1.149   1.165  0.00  0.00    -0.268 OA
ATOM     28  C   LIG    1       -3.795   0.369  -2.149  0.00  0.00    +0.108 C 
ATOM     29  C   LIG    1       -5.070   1.045  -2.625  0.00  0.00    +0.021 C 
ATOM     30  C   LIG    1       -6.158   0.169  -2.016  0.00  0.00    +0.026 C 
BRANCH  24  31
ATOM     31  C   LIG    1       -5.993   0.870   0.439  0.00  0.00    +0.181 C 
BRANCH  31  33
ATOM     32  C   LIG    1       -8.369   0.574   0.496  0.00  0.00    +0.194 C 
ATOM     33  O   LIG    1       -7.143   0.494   1.204  0.00  0.00    -0.381 OA
ENDBRANCH  31  33
ENDBRANCH  24  31
ENDBRANCH  18  26
ENDBRANCH   1  22
TORSDOF 6