REMARK  Name = BDB051350
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.039  -0.076   1.172  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1       -0.571  -1.316   0.793  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1       -1.899  -1.403   0.379  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1       -2.422  -2.647  -0.006  0.00  0.00    -0.319 N 
ATOM      5  H   LIG    1       -1.847  -3.479   0.017  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -3.719  -2.836  -0.430  0.00  0.00    +0.273 A 
ATOM      7  C   LIG    1       -4.531  -1.647  -0.454  0.00  0.00    +0.112 A 
ATOM      8  N   LIG    1       -4.035  -0.418  -0.078  0.00  0.00    -0.310 N 
ATOM      9  C   LIG    1       -5.033   0.521  -0.204  0.00  0.00    +0.092 A 
ATOM     10  C   LIG    1       -6.169  -0.112  -0.662  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -5.853  -1.480  -0.821  0.00  0.00    +0.033 A 
ATOM     12  O   LIG    1       -4.112  -3.953  -0.753  0.00  0.00    -0.266 OA
ATOM     13  C   LIG    1       -2.701  -0.252   0.352  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1       -2.185   0.986   0.743  0.00  0.00    +0.029 A 
ATOM     15  C   LIG    1       -0.851   1.069   1.157  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  17
ATOM     16  O   LIG    1        1.909  -1.032   2.078  0.00  0.00    -0.270 OA
ATOM     17  C   LIG    1        1.383  -0.028   1.611  0.00  0.00    +0.244 C 
ATOM     18  N   LIG    1        2.043   1.167   1.424  0.00  0.00    -0.307 N 
ATOM     19  H   LIG    1        1.633   1.862   0.817  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1        3.460   1.290   1.688  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.257   1.124   0.423  0.00  0.00    -0.027 A 
ATOM     22  C   LIG    1        4.705   2.232  -0.301  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1        5.414   2.017  -1.472  0.00  0.00    +0.111 A 
ATOM     24  N   LIG    1        5.697   0.794  -1.967  0.00  0.00    -0.263 NA
ATOM     25  C   LIG    1        5.251  -0.264  -1.257  0.00  0.00    +0.111 A 
ATOM     26  C   LIG    1        4.536  -0.152  -0.075  0.00  0.00    +0.025 A 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   1  17
TORSDOF 3