REMARK  Name = BDB052734
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.704  -0.349  -0.366  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1       -2.372  -0.043  -0.620  0.00  0.00    -0.227 NA
ATOM      3  C   LIG    1       -1.980   0.301  -1.825  0.00  0.00    +0.167 A 
ATOM      4  C   LIG    1       -2.984   0.365  -2.879  0.00  0.00    +0.178 A 
ATOM      5  N   LIG    1       -4.286   0.071  -2.592  0.00  0.00    -0.302 N 
ATOM      6  C   LIG    1       -4.993   0.220  -3.753  0.00  0.00    +0.112 A 
ATOM      7  C   LIG    1       -4.059   0.602  -4.694  0.00  0.00    +0.131 A 
ATOM      8  N   LIG    1       -2.802   0.691  -4.143  0.00  0.00    -0.233 NA
ATOM      9  C   LIG    1       -4.660  -0.291  -1.317  0.00  0.00    +0.121 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -5.265  -2.019   2.669  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -4.989  -1.714   1.336  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1       -4.057  -0.717   1.022  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1       -3.428  -0.091   2.099  0.00  0.00    +0.120 A 
ATOM     14  N   LIG    1       -3.680  -0.361   3.406  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1       -4.593  -1.320   3.658  0.00  0.00    +0.111 A 
ENDBRANCH   1  12
BRANCH   3  16
ATOM     16  N   LIG    1       -0.679   0.621  -2.158  0.00  0.00    -0.296 N 
ATOM     17  H   LIG    1       -0.560   0.879  -3.133  0.00  0.00    +0.154 HD
BRANCH  16  18
ATOM     18  C   LIG    1        0.502   0.575  -1.405  0.00  0.00    +0.033 A 
ATOM     19  C   LIG    1        1.677   1.081  -1.974  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1        2.892   1.090  -1.270  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        2.996   0.603   0.038  0.00  0.00    +0.030 A 
ATOM     22  C   LIG    1        1.812   0.107   0.600  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1        0.594   0.094  -0.102  0.00  0.00    +0.025 A 
BRANCH  21  24
ATOM     24  N   LIG    1        4.190   0.614   0.733  0.00  0.00    -0.326 N 
ATOM     25  C   LIG    1        5.490   0.729   0.056  0.00  0.00    +0.133 C 
ATOM     26  C   LIG    1        6.587   0.059   0.901  0.00  0.00    +0.178 C 
ATOM     27  O   LIG    1        6.736   0.615   2.215  0.00  0.00    -0.377 OA
ATOM     28  C   LIG    1        5.518   1.162   2.739  0.00  0.00    +0.178 C 
ATOM     29  C   LIG    1        4.242   0.492   2.199  0.00  0.00    +0.133 C 
ENDBRANCH  21  24
ENDBRANCH  16  18
ENDBRANCH   3  16
TORSDOF 4