REMARK  Name = BDB045976
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.913  -0.654  -0.251  0.00  0.00    -0.293 N 
ATOM      2  C   LIG    1       -0.275  -1.351  -0.355  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -0.565  -2.155  -1.221  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.133  -0.935   0.772  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1       -0.394   0.020   1.498  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1       -0.911   0.638   2.625  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1       -2.197   0.292   3.027  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.937  -0.659   2.304  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1       -2.418  -1.299   1.157  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1        0.948   0.241   0.882  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1       -3.320  -2.286   0.498  0.00  0.00    +0.242 C 
ATOM     12  O   LIG    1       -4.495  -2.384   0.841  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1       -2.845  -3.101  -0.480  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1       -1.938  -2.975  -0.929  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -3.509  -3.695  -0.957  0.00  0.00    +0.145 HD
ENDBRANCH   9  11
BRANCH   1  16
ATOM     16  C   LIG    1        2.025  -0.768  -1.177  0.00  0.00    +0.110 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.775  -0.084  -2.522  0.00  0.00    +0.047 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.577   1.423  -2.424  0.00  0.00    +0.161 C 
BRANCH  18  20
ATOM     19  C   LIG    1        2.583   3.429  -1.707  0.00  0.00    +0.193 C 
ATOM     20  O   LIG    1        2.698   2.012  -1.767  0.00  0.00    -0.383 OA
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 5