REMARK  Name = BDB014769
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.688  -1.334  -0.447  0.00  0.00    -0.298 N 
ATOM      2  H   LIG    1       -0.843  -2.307  -0.678  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -7.056  -3.698  -1.674  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -5.566  -3.617  -1.464  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -5.000  -2.352  -1.376  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -3.529  -2.318  -1.264  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -3.060  -0.977  -0.825  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -1.768  -0.514  -0.456  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -1.812   0.787  -0.147  0.00  0.00    -0.155 NA
ATOM     10  N   LIG    1       -3.101   1.147  -0.286  0.00  0.00    -0.266 N 
ATOM     11  C   LIG    1       -3.884   0.122  -0.717  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -5.339   0.119  -0.989  0.00  0.00    +0.074 C 
ATOM     13  C   LIG    1       -5.677  -1.121  -1.845  0.00  0.00    +0.114 C 
ATOM     14  O   LIG    1       -4.899  -4.648  -1.368  0.00  0.00    -0.276 OA
BRANCH  10  15
ATOM     15  C   LIG    1       -3.497   2.518   0.007  0.00  0.00    +0.147 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -4.067   2.655   1.390  0.00  0.00    +0.010 C 
ATOM     17  C   LIG    1       -4.018   3.983   2.103  0.00  0.00    +0.005 C 
ATOM     18  C   LIG    1       -3.159   2.844   2.578  0.00  0.00    +0.005 C 
ENDBRANCH  15  16
ENDBRANCH  10  15
ENDBRANCH   1   8
BRANCH   1  19
ATOM     19  C   LIG    1        0.668  -1.100  -0.126  0.00  0.00    +0.032 A 
ATOM     20  C   LIG    1        1.572  -2.171  -0.202  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1        2.931  -2.004   0.097  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1        3.438  -0.756   0.482  0.00  0.00    -0.018 A 
ATOM     23  C   LIG    1        2.537   0.314   0.555  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1        1.177   0.143   0.256  0.00  0.00    +0.024 A 
BRANCH  22  25
ATOM     25  C   LIG    1        4.865  -0.575   0.796  0.00  0.00    -0.018 A 
ATOM     26  C   LIG    1        5.621   0.435   0.176  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1        6.985   0.621   0.464  0.00  0.00    -0.019 A 
ATOM     28  C   LIG    1        7.598  -0.226   1.395  0.00  0.00    +0.006 A 
ATOM     29  C   LIG    1        6.867  -1.233   2.022  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        5.513  -1.405   1.724  0.00  0.00    +0.008 A 
BRANCH  27  31
ATOM     31  C   LIG    1        7.782   1.713  -0.216  0.00  0.00    +0.141 C 
ATOM     32  C   LIG    1        7.335   3.109   0.198  0.00  0.00    +0.043 C 
BRANCH  31  33
ATOM     33  O   LIG    1        7.669   1.596  -1.634  0.00  0.00    -0.387 OA
ATOM     34  H   LIG    1        7.516   0.657  -1.834  0.00  0.00    +0.210 HD
ENDBRANCH  31  33
ENDBRANCH  27  31
ENDBRANCH  22  25
ENDBRANCH   1  19
TORSDOF 7