REMARK  Name = BDB052294
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.604   0.766  -0.000  0.00  0.00    -0.239 N 
ATOM      2  N   LIG    1       -2.399  -0.268  -0.405  0.00  0.00    -0.166 NA
ATOM      3  C   LIG    1       -3.669   0.170  -0.293  0.00  0.00    +0.105 A 
ATOM      4  C   LIG    1       -3.647   1.522   0.198  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1       -4.734   2.349   0.457  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1       -5.951   1.698   0.175  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -6.037   0.357  -0.314  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -4.904  -0.458  -0.567  0.00  0.00    +0.064 A 
ATOM      9  C   LIG    1       -2.339   1.870   0.373  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        2.615   0.303  -0.018  0.00  0.00    -0.046 A 
ATOM     11  C   LIG    1        1.779  -0.744  -0.420  0.00  0.00    +0.006 A 
ATOM     12  C   LIG    1        0.390  -0.585  -0.414  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1       -0.185   0.625   0.001  0.00  0.00    +0.065 A 
ATOM     14  C   LIG    1        0.650   1.673   0.411  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1        2.040   1.508   0.402  0.00  0.00    +0.006 A 
BRANCH  10  16
ATOM     16  C   LIG    1        4.115   0.123  -0.007  0.00  0.00    +0.050 C 
BRANCH  16  17
ATOM     17  C   LIG    1        4.610  -0.445   1.331  0.00  0.00    +0.085 C 
BRANCH  17  19
ATOM     18  C   LIG    1        6.608  -1.643   0.625  0.00  0.00    +0.101 C 
ATOM     19  N   LIG    1        6.070  -0.555   1.429  0.00  0.00    -0.319 NA
ATOM     20  H   LIG    1        6.505   0.324   1.153  0.00  0.00    +0.122 HD
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   8  21
ATOM     21  C   LIG    1       -5.048  -1.833  -1.071  0.00  0.00    +0.244 C 
ATOM     22  O   LIG    1       -6.152  -2.318  -1.289  0.00  0.00    -0.270 OA
ATOM     23  N   LIG    1       -3.906  -2.546  -1.286  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1       -3.974  -3.492  -1.630  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1       -2.991  -2.139  -1.102  0.00  0.00    +0.145 HD
ENDBRANCH   8  21
TORSDOF 5