REMARK  Name = BDB062155
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.139   1.104   1.592  0.00  0.00    +0.097 A 
ATOM      2  C   LIG    1       -2.454   1.006   1.150  0.00  0.00    +0.077 A 
ATOM      3  N   LIG    1       -3.184   1.556   2.185  0.00  0.00    -0.333 N 
ATOM      4  C   LIG    1       -4.608   1.786   2.221  0.00  0.00    +0.150 C 
ATOM      5  C   LIG    1       -2.318   1.897   3.185  0.00  0.00    +0.200 A 
ATOM      6  N   LIG    1       -1.074   1.646   2.854  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -3.024   0.536  -0.117  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1       -3.799  -0.656  -0.213  0.00  0.00    -0.007 A 
ATOM      9  C   LIG    1       -4.348  -1.027  -1.472  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -5.126  -2.210  -1.548  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -5.354  -3.016  -0.433  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -4.807  -2.666   0.789  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -4.093  -0.206  -2.601  0.00  0.00    +0.059 A 
ATOM     14  C   LIG    1       -3.315   0.951  -2.487  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -4.040  -1.505   0.895  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1       -2.787   1.318  -1.255  0.00  0.00    +0.012 A 
BRANCH  13  17
ATOM     17  C   LIG    1       -4.617  -0.527  -3.900  0.00  0.00    +0.100 C 
ATOM     18  N   LIG    1       -5.043  -0.778  -4.950  0.00  0.00    -0.191 NA
ENDBRANCH  13  17
ENDBRANCH   2   7
BRANCH   1  21
ATOM     19  C   LIG    1       -0.357  -1.749   1.220  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1        0.418  -0.598   0.640  0.00  0.00    -0.041 A 
ATOM     21  C   LIG    1        0.049   0.752   0.829  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1        0.849   1.782   0.280  0.00  0.00    -0.041 A 
ATOM     23  C   LIG    1        0.538   3.238   0.514  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1        1.984   1.449  -0.480  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        2.335   0.114  -0.707  0.00  0.00    -0.033 A 
ATOM     26  C   LIG    1        1.544  -0.897  -0.147  0.00  0.00    +0.009 A 
BRANCH  25  27
ATOM     27  C   LIG    1        3.553  -0.235  -1.537  0.00  0.00    +0.119 C 
BRANCH  27  28
ATOM     28  N   LIG    1        4.556  -0.995  -0.786  0.00  0.00    -0.296 NA
ATOM     29  C   LIG    1        5.167  -0.225   0.307  0.00  0.00    +0.116 C 
ATOM     30  C   LIG    1        6.539  -0.877   0.536  0.00  0.00    +0.130 C 
ATOM     31  C   LIG    1        6.698  -1.873  -0.605  0.00  0.00    +0.048 C 
ATOM     32  C   LIG    1        5.678  -1.408  -1.631  0.00  0.00    +0.087 C 
BRANCH  30  33
ATOM     33  O   LIG    1        7.584   0.091   0.456  0.00  0.00    -0.390 OA
ATOM     34  H   LIG    1        7.460   0.708   1.198  0.00  0.00    +0.210 HD
ENDBRANCH  30  33
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   1  21
TORSDOF 6