REMARK  Name = BDB004358
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.422   0.725   1.287  0.00  0.00    -0.033 A 
ATOM      2  C   LIG    1       -1.285  -0.246   0.759  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1       -2.606   0.087   0.437  0.00  0.00    +0.045 A 
ATOM      4  C   LIG    1       -3.528  -0.919  -0.125  0.00  0.00    +0.106 A 
ATOM      5  C   LIG    1       -4.879  -0.451  -0.419  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -5.797  -1.345  -0.949  0.00  0.00    +0.053 A 
ATOM      7  C   LIG    1       -7.096  -0.920  -1.240  0.00  0.00    +0.014 A 
ATOM      8  C   LIG    1       -7.458   0.406  -0.992  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -6.524   1.300  -0.457  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -5.360  -2.728  -1.190  0.00  0.00    +0.273 A 
ATOM     11  O   LIG    1       -6.126  -3.563  -1.656  0.00  0.00    -0.266 OA
ATOM     12  N   LIG    1       -4.054  -3.015  -0.860  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1       -3.732  -3.965  -1.018  0.00  0.00    +0.192 HD
ATOM     14  C   LIG    1       -5.228   0.870  -0.170  0.00  0.00    +0.138 A 
ATOM     15  O   LIG    1       -4.360   1.794   0.353  0.00  0.00    -0.455 OA
ATOM     16  N   LIG    1       -3.142  -2.142  -0.338  0.00  0.00    -0.170 NA
ATOM     17  C   LIG    1       -3.079   1.385   0.641  0.00  0.00    +0.138 A 
ATOM     18  C   LIG    1       -2.226   2.355   1.169  0.00  0.00    +0.047 A 
ATOM     19  C   LIG    1       -0.907   2.027   1.490  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1  20
ATOM     20  C   LIG    1        1.009   0.373   1.642  0.00  0.00    +0.119 C 
BRANCH  20  24
ATOM     21  N   LIG    1        3.983  -0.775  -0.256  0.00  0.00    -0.297 NA
ATOM     22  C   LIG    1        4.015  -0.362   1.155  0.00  0.00    +0.100 C 
ATOM     23  C   LIG    1        3.350   0.999   1.480  0.00  0.00    +0.100 C 
ATOM     24  N   LIG    1        1.998   1.190   0.918  0.00  0.00    -0.296 NA
ATOM     25  C   LIG    1        2.045   0.877  -0.525  0.00  0.00    +0.100 C 
ATOM     26  C   LIG    1        2.681  -0.486  -0.881  0.00  0.00    +0.100 C 
BRANCH  21  28
ATOM     27  C   LIG    1        5.604   1.040  -1.031  0.00  0.00    +0.024 C 
ATOM     28  C   LIG    1        5.148  -0.420  -1.080  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1        6.324  -1.342  -0.725  0.00  0.00    +0.024 C 
ENDBRANCH  21  28
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 3