REMARK  Name = BDB014734
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.535   4.404   1.099  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -5.188   3.148   0.577  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -4.348   2.101   0.216  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.920   2.070   0.597  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -2.178   1.056  -0.196  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.795   0.738  -0.258  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -0.583  -0.257  -1.124  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -1.800  -0.603  -1.582  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -2.788   0.169  -1.057  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -4.244   0.110  -1.325  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.978   0.819  -0.169  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -6.413   3.091   0.473  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        0.138   1.404   0.469  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1       -0.170   2.198   1.013  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.517   1.153   0.663  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1        2.169  -0.004   0.221  0.00  0.00    +0.036 A 
ATOM     17  C   LIG    1        3.545  -0.189   0.430  0.00  0.00    +0.042 A 
ATOM     18  C   LIG    1        4.200  -1.443  -0.057  0.00  0.00    +0.247 C 
ATOM     19  N   LIG    1        5.538  -1.637   0.302  0.00  0.00    -0.300 N 
ATOM     20  C   LIG    1        6.112  -0.861   1.390  0.00  0.00    +0.112 C 
ATOM     21  C   LIG    1        5.777   0.619   1.263  0.00  0.00    +0.055 C 
ATOM     22  C   LIG    1        6.149  -2.918  -0.003  0.00  0.00    +0.132 C 
ATOM     23  O   LIG    1        3.568  -2.246  -0.736  0.00  0.00    -0.270 OA
ATOM     24  C   LIG    1        4.297   0.800   1.082  0.00  0.00    -0.034 A 
ATOM     25  C   LIG    1        3.664   1.972   1.502  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        2.292   2.140   1.297  0.00  0.00    +0.023 A 
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  27
ATOM     27  C   LIG    1       -1.921  -1.659  -2.579  0.00  0.00    +0.147 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.148  -3.047  -2.044  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1       -2.590  -3.362  -0.633  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -1.183  -3.671  -1.065  0.00  0.00    +0.005 C 
ENDBRANCH  27  28
ENDBRANCH   8  27
TORSDOF 4