REMARK  Name = BDB011661
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.276  -1.604  -0.581  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1       -0.674  -0.609  -0.517  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1       -0.301   0.340  -0.450  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        0.052  -2.808  -0.510  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.031  -0.698  -0.391  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -2.814   0.526  -0.046  0.00  0.00    +0.289 A 
ATOM      7  O   LIG    1       -2.322   1.643   0.025  0.00  0.00    -0.264 OA
ATOM      8  N   LIG    1       -4.147   0.145   0.116  0.00  0.00    -0.245 N 
ATOM      9  N   LIG    1       -4.253  -1.226  -0.265  0.00  0.00    -0.287 N 
ATOM     10  C   LIG    1       -5.162  -2.030   0.556  0.00  0.00    +0.170 C 
ATOM     11  C   LIG    1       -2.945  -1.673  -0.531  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1       -2.730  -3.076  -1.001  0.00  0.00    +0.067 C 
BRANCH   8  13
ATOM     13  C   LIG    1       -5.223   1.093  -0.175  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -6.262   1.155   0.953  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1       -7.346   2.190   0.657  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1       -8.002   1.946  -0.699  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1       -6.970   1.897  -1.823  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1       -5.882   0.862  -1.545  0.00  0.00    +0.027 C 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  24
ATOM     19  C   LIG    1        3.050  -3.284  -0.769  0.00  0.00    +0.050 C 
ATOM     20  C   LIG    1        2.870  -1.814  -0.785  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1        3.844  -0.836  -0.863  0.00  0.00    +0.169 A 
ATOM     22  O   LIG    1        3.247   0.385  -0.856  0.00  0.00    -0.356 OA
ATOM     23  N   LIG    1        1.881   0.242  -0.754  0.00  0.00    -0.073 NA
ATOM     24  C   LIG    1        1.647  -1.082  -0.706  0.00  0.00    +0.171 A 
BRANCH  21  25
ATOM     25  C   LIG    1        5.332  -0.874  -0.964  0.00  0.00    +0.187 C 
ATOM     26  O   LIG    1        5.797  -1.711   0.114  0.00  0.00    -0.368 OA
ATOM     27  C   LIG    1        6.515  -0.900   1.057  0.00  0.00    +0.164 C 
ATOM     28  C   LIG    1        6.218   0.554   0.716  0.00  0.00    +0.020 C 
ATOM     29  C   LIG    1        6.040   0.463  -0.790  0.00  0.00    +0.045 C 
BRANCH  28  30
ATOM     30  C   LIG    1        7.292   1.550   1.187  0.00  0.00    -0.012 C 
ATOM     31  C   LIG    1        6.962   2.978   0.743  0.00  0.00    +0.007 C 
ATOM     32  C   LIG    1        7.456   1.515   2.709  0.00  0.00    +0.007 C 
ENDBRANCH  28  30
ENDBRANCH  21  25
ENDBRANCH   1  24
TORSDOF 5