REMARK  Name = BDB054471
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.531  -2.380  -0.459  0.00  0.00    -0.282 N 
ATOM      2  H   LIG    1        0.030  -3.241  -0.639  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.890  -2.704  -0.409  0.00  0.00    +0.221 A 
ATOM      4  N   LIG    1        2.817  -1.759  -0.188  0.00  0.00    -0.195 NA
ATOM      5  C   LIG    1        4.072  -2.228  -0.170  0.00  0.00    +0.164 A 
ATOM      6  C   LIG    1        4.459  -3.539  -0.350  0.00  0.00    +0.057 A 
ATOM      7  C   LIG    1        5.860  -3.518  -0.242  0.00  0.00    +0.146 A 
ATOM      8  N   LIG    1        6.341  -2.290  -0.011  0.00  0.00    -0.177 NA
ATOM      9  C   LIG    1        3.442  -4.452  -0.571  0.00  0.00    +0.127 A 
ATOM     10  N   LIG    1        5.226  -1.515   0.028  0.00  0.00    -0.243 N 
ATOM     11  N   LIG    1        2.158  -4.018  -0.597  0.00  0.00    -0.222 NA
BRANCH  10  12
ATOM     12  C   LIG    1        5.352  -0.093   0.260  0.00  0.00    +0.110 C 
ATOM     13  C   LIG    1        4.820   0.793  -0.888  0.00  0.00    +0.030 C 
ATOM     14  C   LIG    1        4.399   2.079  -0.230  0.00  0.00    -0.006 C 
ATOM     15  C   LIG    1        4.288   1.849   1.241  0.00  0.00    -0.006 C 
ATOM     16  C   LIG    1        5.303   2.831   0.713  0.00  0.00    +0.007 C 
ATOM     17  C   LIG    1        4.639   0.415   1.532  0.00  0.00    +0.030 C 
ENDBRANCH  10  12
ENDBRANCH   1   3
BRANCH   1  22
ATOM     18  C   LIG    1       -1.851   0.272  -0.222  0.00  0.00    +0.106 A 
ATOM     19  N   LIG    1       -0.646   0.933  -0.064  0.00  0.00    -0.344 N 
ATOM     20  C   LIG    1       -0.480   2.357   0.142  0.00  0.00    +0.149 C 
ATOM     21  C   LIG    1        0.394   0.040  -0.108  0.00  0.00    +0.109 A 
ATOM     22  C   LIG    1       -0.123  -1.211  -0.330  0.00  0.00    +0.052 A 
ATOM     23  C   LIG    1       -1.527  -1.068  -0.412  0.00  0.00    +0.055 A 
BRANCH  18  26
ATOM     24  C   LIG    1       -5.644   0.482  -0.219  0.00  0.00    +0.102 C 
ATOM     25  N   LIG    1       -4.250   0.072   0.020  0.00  0.00    -0.291 N 
ATOM     26  C   LIG    1       -3.160   0.914  -0.231  0.00  0.00    +0.263 C 
ATOM     27  O   LIG    1       -3.292   2.113  -0.459  0.00  0.00    -0.268 OA
ATOM     28  C   LIG    1       -4.207  -0.658   1.290  0.00  0.00    +0.108 C 
ATOM     29  C   LIG    1       -5.549  -0.388   1.976  0.00  0.00    +0.021 C 
ATOM     30  C   LIG    1       -6.141   0.779   1.192  0.00  0.00    +0.026 C 
BRANCH  24  31
ATOM     31  C   LIG    1       -5.997   1.577  -1.240  0.00  0.00    +0.181 C 
BRANCH  31  33
ATOM     32  C   LIG    1       -4.750   0.971  -3.183  0.00  0.00    +0.194 C 
ATOM     33  O   LIG    1       -6.033   1.086  -2.586  0.00  0.00    -0.381 OA
ENDBRANCH  31  33
ENDBRANCH  24  31
ENDBRANCH  18  26
ENDBRANCH   1  22
TORSDOF 6