REMARK  Name = BDB028855
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.400   3.411  -0.796  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1        0.142   2.081  -0.519  0.00  0.00    +0.163 A 
ATOM      3  N   LIG    1        1.375   1.427  -0.512  0.00  0.00    -0.200 N 
ATOM      4  C   LIG    1        1.468   0.038  -0.249  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1        0.325  -0.627  -0.009  0.00  0.00    +0.087 A 
ATOM      6  C   LIG    1       -0.969   0.138  -0.038  0.00  0.00    +0.124 A 
ATOM      7  N   LIG    1        2.403   2.292  -0.765  0.00  0.00    -0.171 NA
ATOM      8  N   LIG    1       -1.031   1.424  -0.281  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        1.804   3.469  -0.935  0.00  0.00    +0.141 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -0.588   5.141  -2.316  0.00  0.00    +0.012 C 
ATOM     11  C   LIG    1       -0.594   4.526  -0.914  0.00  0.00    +0.018 C 
ATOM     12  C   LIG    1       -0.362   5.604   0.146  0.00  0.00    +0.012 C 
ENDBRANCH   1  11
BRANCH   6  13
ATOM     13  N   LIG    1       -2.129  -0.563   0.205  0.00  0.00    -0.329 N 
ATOM     14  H   LIG    1       -2.082  -1.580   0.138  0.00  0.00    +0.147 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -3.444  -0.002  -0.051  0.00  0.00    +0.109 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -4.530  -1.038   0.265  0.00  0.00    +0.037 C 
ATOM     17  C   LIG    1       -4.434  -2.250  -0.690  0.00  0.00    +0.133 C 
ATOM     18  C   LIG    1       -5.807  -2.885  -0.991  0.00  0.00    +0.112 C 
ATOM     19  N   LIG    1       -6.655  -2.846   0.201  0.00  0.00    -0.314 NA
ATOM     20  H   LIG    1       -7.514  -3.373   0.040  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1       -6.995  -1.468   0.577  0.00  0.00    +0.081 C 
ATOM     22  C   LIG    1       -5.932  -0.429   0.191  0.00  0.00    +0.023 C 
BRANCH  17  23
ATOM     23  O   LIG    1       -3.571  -3.220  -0.078  0.00  0.00    -0.390 OA
ATOM     24  H   LIG    1       -4.112  -3.637   0.623  0.00  0.00    +0.210 HD
ENDBRANCH  17  23
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   4  25
ATOM     25  N   LIG    1        2.747  -0.532  -0.266  0.00  0.00    -0.327 N 
ATOM     26  H   LIG    1        3.454   0.215  -0.259  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1        3.169  -1.654   0.565  0.00  0.00    +0.121 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.625  -2.076   0.234  0.00  0.00    +0.073 C 
ATOM     29  N   LIG    1        5.587  -0.967   0.463  0.00  0.00    -0.301 NA
ATOM     30  C   LIG    1        6.088  -0.388  -0.783  0.00  0.00    +0.105 C 
ATOM     31  C   LIG    1        6.691  -1.492   1.274  0.00  0.00    +0.084 C 
ATOM     32  C   LIG    1        6.018  -2.528   2.148  0.00  0.00    +0.017 C 
ATOM     33  C   LIG    1        5.072  -3.204   1.175  0.00  0.00    +0.021 C 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   4  25
TORSDOF 8