REMARK  Name = BDB052821
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.174  -0.438   1.052  0.00  0.00    +0.106 A 
ATOM      2  C   LIG    1        0.008  -1.696   1.693  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1       -0.995  -2.394   1.014  0.00  0.00    +0.059 A 
ATOM      4  C   LIG    1       -1.347  -3.700   1.420  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -0.699  -4.276   2.517  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.288  -3.585   3.203  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1       -1.446  -1.581  -0.040  0.00  0.00    -0.264 N 
ATOM      8  C   LIG    1        0.650  -2.300   2.798  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -0.794  -0.345   0.059  0.00  0.00    +0.220 A 
ENDROOT
BRANCH   1  11
ATOM     10  O   LIG    1        1.099   1.053   2.587  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1        1.126   0.593   1.448  0.00  0.00    +0.252 C 
ATOM     12  N   LIG    1        2.076   0.986   0.507  0.00  0.00    -0.295 N 
ATOM     13  C   LIG    1        3.032   2.037   0.857  0.00  0.00    +0.123 C 
ATOM     14  C   LIG    1        4.472   1.605   0.532  0.00  0.00    +0.100 C 
ATOM     15  N   LIG    1        4.703   1.205  -0.871  0.00  0.00    -0.313 NA
ATOM     16  H   LIG    1        5.292   0.372  -0.872  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1        3.449   0.927  -1.586  0.00  0.00    +0.100 C 
ATOM     18  C   LIG    1        2.358   0.255  -0.733  0.00  0.00    +0.123 C 
ENDBRANCH   1  11
BRANCH   7  19
ATOM     19  C   LIG    1       -2.438  -1.965  -1.021  0.00  0.00    +0.141 A 
ATOM     20  N   LIG    1       -3.221  -3.041  -0.748  0.00  0.00    -0.237 NA
ATOM     21  C   LIG    1       -4.163  -3.403  -1.648  0.00  0.00    +0.113 A 
ATOM     22  C   LIG    1       -4.370  -2.749  -2.845  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -3.557  -1.665  -3.137  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -2.579  -1.268  -2.221  0.00  0.00    +0.047 A 
ENDBRANCH   7  19
BRANCH   9  25
ATOM     25  O   LIG    1       -1.141   0.676  -0.738  0.00  0.00    -0.439 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -1.114   1.979  -0.305  0.00  0.00    +0.130 A 
ATOM     27  C   LIG    1       -0.595   2.929  -1.185  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1       -0.562   4.274  -0.815  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -1.063   4.667   0.426  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -1.605   3.719   1.294  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -1.641   2.373   0.926  0.00  0.00    +0.046 A 
ENDBRANCH  25  26
ENDBRANCH   9  25
TORSDOF 4