REMARK  Name = BDB052607
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.048   0.009  -2.559  0.00  0.00    +0.134 A 
ATOM      2  C   LIG    1       -0.021   0.688  -1.952  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1       -0.191   2.016  -2.307  0.00  0.00    +0.233 A 
ATOM      4  O   LIG    1       -1.230   2.555  -1.617  0.00  0.00    -0.436 OA
ATOM      5  C   LIG    1       -1.747   1.586  -0.801  0.00  0.00    +0.146 A 
ATOM      6  N   LIG    1        0.536   2.725  -3.180  0.00  0.00    -0.200 NA
ATOM      7  C   LIG    1        1.512   1.983  -3.709  0.00  0.00    +0.227 A 
ATOM      8  C   LIG    1       -1.034   0.409  -0.983  0.00  0.00    +0.041 A 
ATOM      9  N   LIG    1        1.808   0.697  -3.447  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1       -2.876   2.022   0.023  0.00  0.00    +0.018 A 
ATOM     11  C   LIG    1       -2.978   3.360   0.435  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1       -4.045   3.792   1.228  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -5.031   2.891   1.618  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -4.951   1.561   1.214  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -3.882   1.130   0.421  0.00  0.00    +0.011 A 
ENDBRANCH   5  10
BRANCH   8  16
ATOM     16  C   LIG    1       -1.260  -0.816  -0.245  0.00  0.00    -0.014 A 
ATOM     17  C   LIG    1       -1.833  -1.922  -0.884  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1       -2.018  -3.115  -0.184  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -1.628  -3.208   1.151  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -1.051  -2.110   1.790  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -0.865  -0.915   1.093  0.00  0.00    +0.008 A 
ENDBRANCH   8  16
BRANCH   1  22
ATOM     22  N   LIG    1        1.340  -1.334  -2.299  0.00  0.00    -0.324 N 
ATOM     23  H   LIG    1        0.786  -1.686  -1.525  0.00  0.00    +0.148 HD
BRANCH  22  24
ATOM     24  C   LIG    1        2.755  -1.629  -2.111  0.00  0.00    +0.138 C 
BRANCH  24  28
ATOM     25  C   LIG    1        3.828  -0.616   1.966  0.00  0.00    +0.025 A 
ATOM     26  C   LIG    1        3.245  -1.850   1.670  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1        2.896  -2.180   0.357  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1        3.171  -1.296  -0.695  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1        3.803  -0.081  -0.404  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1        4.148   0.242   0.911  0.00  0.00    +0.023 A 
BRANCH  25  31
ATOM     31  N   LIG    1        4.279  -0.341   3.261  0.00  0.00    -0.358 N 
ATOM     32  H   LIG    1        3.757  -0.817   3.989  0.00  0.00    +0.142 HD
ATOM     33  H   LIG    1        4.396   0.650   3.453  0.00  0.00    +0.142 HD
ENDBRANCH  25  31
ENDBRANCH  24  28
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 6