REMARK  Name = BDB024817
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.836  -3.938   0.558  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1       -3.010  -2.565   0.302  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1       -4.321  -1.951   0.603  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1       -4.413  -1.551   2.082  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1       -4.650  -0.797  -0.339  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1       -3.588   0.274  -0.253  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1       -2.218  -0.316  -0.416  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -1.156   0.528  -0.818  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -1.179   1.876  -1.090  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1        0.057   2.212  -1.401  0.00  0.00    +0.113 A 
ATOM     11  N   LIG    1        0.880   1.107  -1.363  0.00  0.00    -0.319 N 
ATOM     12  C   LIG    1        0.122   0.021  -0.985  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1        0.421  -1.319  -0.767  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1       -0.631  -2.146  -0.346  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1       -1.946  -1.688  -0.154  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1       -1.826  -4.605   0.363  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1       -3.849  -5.911   1.360  0.00  0.00    +0.282 C 
ATOM     18  O   LIG    1       -3.964  -4.515   1.079  0.00  0.00    -0.453 OA
ENDBRANCH   1  18
BRANCH  11  19
ATOM     19  C   LIG    1        2.300   1.076  -1.651  0.00  0.00    +0.219 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.111   1.159  -0.375  0.00  0.00    +0.233 C 
ATOM     21  N   LIG    1        3.767  -0.003  -0.039  0.00  0.00    -0.311 N 
ATOM     22  H   LIG    1        3.887  -0.744  -0.720  0.00  0.00    +0.149 HD
ATOM     23  O   LIG    1        3.145   2.172   0.317  0.00  0.00    -0.274 OA
BRANCH  21  24
ATOM     24  C   LIG    1        4.609  -0.112   1.141  0.00  0.00    +0.135 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.632  -1.544   1.677  0.00  0.00    +0.135 C 
ATOM     26  O   LIG    1        4.910  -2.470   0.604  0.00  0.00    -0.375 OA
ATOM     27  C   LIG    1        4.095  -3.637   0.798  0.00  0.00    +0.160 C 
ATOM     28  C   LIG    1        3.432  -3.500   2.152  0.00  0.00    +0.031 C 
ATOM     29  C   LIG    1        3.322  -2.004   2.296  0.00  0.00    +0.035 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  20
ENDBRANCH  11  19
BRANCH  10  30
ATOM     30  C   LIG    1        0.531   3.591  -1.737  0.00  0.00    +0.097 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -0.588   4.620  -1.628  0.00  0.00    +0.151 C 
BRANCH  31  32
ATOM     32  N   LIG    1       -0.095   5.966  -1.857  0.00  0.00    -0.271 N 
ATOM     33  N   LIG    1        0.264   6.349  -3.095  0.00  0.00    -0.180 NA
ATOM     34  C   LIG    1        0.645   7.619  -2.934  0.00  0.00    +0.134 A 
ATOM     35  C   LIG    1        0.542   8.044  -1.598  0.00  0.00    +0.041 A 
ATOM     36  C   LIG    1        0.064   6.948  -0.922  0.00  0.00    +0.108 A 
ENDBRANCH  31  32
ENDBRANCH  30  31
ENDBRANCH  10  30
TORSDOF 8