REMARK  Name = BDB001880
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.139   1.533   2.867  0.00  0.00    +0.151 A 
ATOM      2  C   LIG    1        0.096   0.557   1.842  0.00  0.00    +0.101 A 
ATOM      3  C   LIG    1       -1.073   0.571   1.090  0.00  0.00    +0.081 A 
ATOM      4  N   LIG    1       -1.335  -0.285  -0.033  0.00  0.00    -0.316 N 
ATOM      5  H   LIG    1       -0.969  -1.203   0.225  0.00  0.00    +0.148 HD
ATOM      6  C   LIG    1       -2.777  -0.076  -0.288  0.00  0.00    +0.145 C 
ATOM      7  C   LIG    1       -3.616  -1.255   0.228  0.00  0.00    +0.051 C 
ATOM      8  C   LIG    1       -3.800  -2.306  -0.862  0.00  0.00    +0.004 C 
ATOM      9  C   LIG    1       -4.529  -1.743  -2.084  0.00  0.00    +0.000 C 
ATOM     10  C   LIG    1       -4.351  -0.234  -2.270  0.00  0.00    +0.004 C 
ATOM     11  N   LIG    1       -3.174   1.128   0.502  0.00  0.00    -0.139 N 
ATOM     12  O   LIG    1       -4.436   1.795   0.501  0.00  0.00    -0.166 OA
ATOM     13  C   LIG    1       -2.989   0.246  -1.774  0.00  0.00    +0.051 C 
ATOM     14  C   LIG    1       -2.103   1.478   1.353  0.00  0.00    +0.105 A 
ATOM     15  C   LIG    1       -2.068   2.434   2.342  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1       -0.908   2.465   3.112  0.00  0.00    +0.037 A 
ENDROOT
BRANCH   1  18
ATOM     17  O   LIG    1        2.147   2.475   3.512  0.00  0.00    -0.126 OA
ATOM     18  N   LIG    1        1.282   1.618   3.767  0.00  0.00    +0.058 N 
ATOM     19  O   LIG    1        1.236   0.948   4.814  0.00  0.00    -0.126 OA
ENDBRANCH   1  18
BRANCH   2  20
ATOM     20  N   LIG    1        1.052  -0.380   1.645  0.00  0.00    -0.246 NA
BRANCH  20  21
ATOM     21  C   LIG    1        2.064   0.054   0.669  0.00  0.00    +0.133 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.175  -1.004   0.572  0.00  0.00    +0.056 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.257  -0.619  -0.412  0.00  0.00    -0.046 A 
ATOM     24  C   LIG    1        4.194  -1.048  -1.744  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        5.189  -0.685  -2.653  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.253   0.116  -2.239  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.318   0.559  -0.919  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.323   0.196  -0.010  0.00  0.00    +0.004 A 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 5