REMARK  Name = BDB053421
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.041   0.008  -1.246  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -0.300  -0.357  -0.357  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1       -0.609  -0.853   1.016  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -1.812  -0.972   1.592  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        0.570  -1.213   1.643  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1        1.507  -0.938   0.781  0.00  0.00    +0.192 C 
ATOM      7  N   LIG    1        1.054  -0.433  -0.391  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1        1.603  -0.244  -1.210  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1       -3.100  -0.613   0.995  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1       -3.425   0.725   0.734  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1       -4.666   0.994   0.194  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1       -5.145   2.227  -0.121  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1       -6.442   1.886  -0.650  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1       -6.730   0.473  -0.605  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1       -5.570  -0.005  -0.080  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1       -5.287  -1.329   0.173  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1       -4.036  -1.633   0.721  0.00  0.00    +0.012 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1        2.825  -1.181   1.009  0.00  0.00    -0.287 N 
ATOM     19  H   LIG    1        3.002  -1.663   1.885  0.00  0.00    +0.155 HD
BRANCH  18  20
ATOM     20  C   LIG    1        3.948  -0.483   0.529  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1        3.882   0.799  -0.034  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1        5.029   1.429  -0.532  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1        6.251   0.771  -0.475  0.00  0.00    +0.117 A 
ATOM     24  C   LIG    1        6.343  -0.500   0.072  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1        5.196  -1.123   0.571  0.00  0.00    +0.027 A 
BRANCH  23  26
ATOM     26  O   LIG    1        7.392   1.344  -0.949  0.00  0.00    -0.507 OA
ATOM     27  H   LIG    1        7.181   2.228  -1.293  0.00  0.00    +0.292 HD
ENDBRANCH  23  26
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4