REMARK  Name = BDB050439
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.651   0.448  -0.462  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1       -0.246   0.539  -0.441  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1        0.493   1.171  -1.457  0.00  0.00    +0.033 A 
ATOM      4  N   LIG    1        1.887   1.246  -1.434  0.00  0.00    -0.330 N 
ATOM      5  C   LIG    1        2.553   2.107  -2.413  0.00  0.00    +0.105 C 
ATOM      6  C   LIG    1        1.913   1.964  -3.782  0.00  0.00    +0.024 C 
ATOM      7  C   LIG    1        0.456   2.381  -3.692  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -0.241   1.696  -2.544  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1       -1.645   1.630  -2.568  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1       -2.343   1.011  -1.536  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -2.701  -1.591   0.581  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1       -2.377  -0.221   0.629  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -2.778   0.495   1.777  0.00  0.00    -0.038 A 
ATOM     14  C   LIG    1       -2.469   1.959   1.949  0.00  0.00    +0.044 C 
ATOM     15  C   LIG    1       -3.466  -0.178   2.794  0.00  0.00    +0.047 A 
ATOM     16  C   LIG    1       -3.748  -1.524   2.649  0.00  0.00    +0.117 A 
ATOM     17  N   LIG    1       -3.375  -2.233   1.576  0.00  0.00    -0.237 NA
BRANCH  16  18
ATOM     18  N   LIG    1       -4.420  -2.222   3.650  0.00  0.00    -0.343 N 
ATOM     19  H   LIG    1       -5.305  -1.783   3.872  0.00  0.00    +0.144 HD
ATOM     20  H   LIG    1       -4.544  -3.170   3.303  0.00  0.00    +0.144 HD
ENDBRANCH  16  18
BRANCH  11  22
ATOM     21  C   LIG    1       -0.977  -3.191  -0.296  0.00  0.00    +0.010 C 
ATOM     22  C   LIG    1       -2.295  -2.482  -0.570  0.00  0.00    +0.053 C 
ENDBRANCH  11  22
ENDBRANCH   1  12
BRANCH   4  23
ATOM     23  C   LIG    1        2.659   0.919  -0.226  0.00  0.00    +0.107 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.070  -0.554  -0.249  0.00  0.00    +0.047 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.948  -0.916   0.942  0.00  0.00    +0.161 C 
BRANCH  25  26
ATOM     26  O   LIG    1        3.228  -0.684   2.150  0.00  0.00    -0.383 OA
ATOM     27  C   LIG    1        3.980  -1.064   3.294  0.00  0.00    +0.193 C 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 7