REMARK  Name = BDB016194
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.037  -0.877   0.711  0.00  0.00    +0.060 A 
ATOM      2  C   LIG    1       -2.254  -0.388   0.145  0.00  0.00    +0.061 A 
ATOM      3  N   LIG    1       -2.226   0.876  -0.458  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.481   1.453  -0.041  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -3.410   1.673  -0.726  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1       -4.277   1.008  -1.766  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1       -5.133  -0.084  -1.216  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -4.627  -1.054  -0.419  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -5.337  -1.751  -0.228  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -6.324  -0.163  -1.536  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -4.118   2.117   0.551  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -3.355  -1.272   0.147  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1       -3.244  -2.527   0.789  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -2.061  -2.951   1.387  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -0.950  -2.128   1.343  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  18
ATOM     16  N   LIG    1        1.336  -0.691   0.278  0.00  0.00    -0.281 N 
ATOM     17  H   LIG    1        1.210  -1.628  -0.084  0.00  0.00    +0.155 HD
ATOM     18  C   LIG    1        0.195  -0.032   0.699  0.00  0.00    +0.250 C 
ATOM     19  O   LIG    1        0.095   1.146   1.024  0.00  0.00    -0.270 OA
BRANCH  16  23
ATOM     20  C   LIG    1        5.316   0.705  -0.012  0.00  0.00    +0.120 A 
ATOM     21  C   LIG    1        4.959  -0.566  -0.456  0.00  0.00    +0.047 A 
ATOM     22  C   LIG    1        3.631  -1.001  -0.348  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1        2.644  -0.172   0.201  0.00  0.00    +0.034 A 
ATOM     24  C   LIG    1        3.008   1.097   0.646  0.00  0.00    +0.027 A 
ATOM     25  C   LIG    1        4.335   1.530   0.538  0.00  0.00    +0.047 A 
BRANCH  20  27
ATOM     26  C   LIG    1        7.599   0.457  -0.626  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1        6.568   1.253  -0.057  0.00  0.00    -0.495 OA
ENDBRANCH  20  27
ENDBRANCH  16  23
ENDBRANCH   1  18
TORSDOF 3