REMARK  Name = BDB048443
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.756   0.998  -0.739  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1       -0.852  -0.165  -1.516  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1       -1.865  -1.100  -1.283  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -2.821  -0.893  -0.279  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1       -2.730   0.278   0.489  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -1.718   1.215   0.257  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.885  -1.881  -0.029  0.00  0.00    -0.006 A 
ATOM      8  C   LIG    1       -4.849  -2.259  -0.988  0.00  0.00    +0.044 A 
ATOM      9  C   LIG    1       -5.780  -3.273  -0.704  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -5.789  -3.899   0.541  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -4.862  -3.522   1.507  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.921  -2.529   1.224  0.00  0.00    +0.009 A 
BRANCH   8  13
ATOM     13  C   LIG    1       -4.961  -1.644  -2.336  0.00  0.00    +0.242 C 
ATOM     14  O   LIG    1       -5.138  -2.329  -3.335  0.00  0.00    -0.270 OA
ATOM     15  N   LIG    1       -4.921  -0.281  -2.408  0.00  0.00    -0.325 N 
ATOM     16  H   LIG    1       -4.774   0.313  -1.605  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1       -4.994   0.145  -3.322  0.00  0.00    +0.145 HD
ENDBRANCH   8  13
ENDBRANCH   4   7
BRANCH   1  18
ATOM     18  C   LIG    1        0.338   2.000  -1.030  0.00  0.00    +0.158 C 
BRANCH  18  20
ATOM     19  C   LIG    1        1.957   1.851   0.914  0.00  0.00    +0.111 A 
ATOM     20  N   LIG    1        0.993   2.502   0.171  0.00  0.00    -0.323 N 
ATOM     21  C   LIG    1        0.794   3.749   0.728  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1        1.661   3.778   1.815  0.00  0.00    +0.089 A 
ATOM     23  C   LIG    1        1.716   4.920   2.627  0.00  0.00    +0.030 A 
ATOM     24  C   LIG    1        0.891   6.008   2.321  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        0.028   5.959   1.226  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -0.041   4.827   0.404  0.00  0.00    +0.028 A 
ATOM     27  N   LIG    1        2.366   2.607   1.914  0.00  0.00    -0.232 NA
BRANCH  19  28
ATOM     28  C   LIG    1        2.473   0.476   0.629  0.00  0.00    +0.074 C 
BRANCH  28  29
ATOM     29  C   LIG    1        3.713   0.524  -0.266  0.00  0.00    +0.008 C 
BRANCH  29  30
ATOM     30  C   LIG    1        4.189  -0.862  -0.714  0.00  0.00    +0.000 C 
BRANCH  30  31
ATOM     31  C   LIG    1        4.662  -1.743   0.445  0.00  0.00    -0.000 C 
BRANCH  31  33
ATOM     32  C   LIG    1        4.380  -3.982  -0.746  0.00  0.00    +0.004 C 
ATOM     33  C   LIG    1        5.328  -3.041  -0.019  0.00  0.00    -0.003 C 
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  19  28
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 9