REMARK  Name = BDB014765
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.905  -3.952   0.203  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.437  -3.916  -0.137  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.772  -2.707   0.025  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.362  -2.690  -0.413  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.654  -1.500   0.127  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.282  -1.135   0.092  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -0.097   0.038   0.709  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -1.317   0.426   1.113  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -2.286  -0.468   0.787  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -3.736  -0.417   1.081  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.464  -1.404   0.142  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -3.868  -4.934  -0.531  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        0.659  -1.925  -0.482  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        0.367  -2.835  -0.815  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        2.031  -1.703  -0.747  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1        2.660  -0.460  -0.593  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1        4.032  -0.286  -0.845  0.00  0.00    -0.013 A 
ATOM     18  C   LIG    1        4.786  -1.390  -1.258  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1        4.184  -2.638  -1.410  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        2.820  -2.790  -1.153  0.00  0.00    +0.023 A 
BRANCH  17  21
ATOM     21  C   LIG    1        4.667   1.014  -0.691  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        4.233   2.021   0.148  0.00  0.00    +0.116 A 
ATOM     23  N   LIG    1        5.109   3.056  -0.005  0.00  0.00    -0.274 N 
ATOM     24  C   LIG    1        5.068   4.333   0.662  0.00  0.00    +0.172 C 
ATOM     25  N   LIG    1        6.097   2.798  -0.880  0.00  0.00    -0.179 NA
ATOM     26  C   LIG    1        5.825   1.558  -1.297  0.00  0.00    +0.142 A 
ENDBRANCH  17  21
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  27
ATOM     27  C   LIG    1       -1.447   1.663   1.866  0.00  0.00    +0.151 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -1.481   2.928   1.034  0.00  0.00    +0.062 C 
ATOM     29  C   LIG    1       -0.406   3.217  -0.029  0.00  0.00    +0.167 C 
ATOM     30  O   LIG    1       -1.429   3.744  -0.923  0.00  0.00    -0.379 OA
ATOM     31  C   LIG    1       -2.447   3.048  -0.154  0.00  0.00    +0.167 C 
ENDBRANCH  27  28
ENDBRANCH   8  27
TORSDOF 5