REMARK  Name = BDB060437
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.227   0.501  -0.900  0.00  0.00    -0.281 N 
ATOM      2  H   LIG    1       -0.031  -0.118  -0.125  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        0.862   1.046  -1.557  0.00  0.00    +0.248 C 
ATOM      4  O   LIG    1        0.846   1.697  -2.594  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  14
ATOM      5  C   LIG    1       -3.554  -0.659   3.546  0.00  0.00    +0.129 C 
ATOM      6  N   LIG    1       -3.709  -0.427   2.131  0.00  0.00    -0.302 N 
ATOM      7  H   LIG    1       -3.588   0.526   1.818  0.00  0.00    +0.150 HD
ATOM      8  C   LIG    1       -4.685  -1.100   1.432  0.00  0.00    +0.306 C 
ATOM      9  N   LIG    1       -4.856  -0.703   0.101  0.00  0.00    -0.255 N 
ATOM     10  C   LIG    1       -3.899  -0.015  -0.719  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1       -4.335   0.704  -1.845  0.00  0.00    -0.026 A 
ATOM     12  C   LIG    1       -3.414   1.429  -2.614  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -2.052   1.397  -2.311  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -1.589   0.625  -1.251  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1       -5.788   0.716  -2.227  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1       -6.375  -0.648  -1.915  0.00  0.00    +0.024 C 
ATOM     17  C   LIG    1       -2.518  -0.078  -0.467  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1       -6.195  -0.953  -0.438  0.00  0.00    +0.115 C 
ATOM     19  O   LIG    1       -5.409  -1.929   1.981  0.00  0.00    -0.252 OA
ENDBRANCH   1  14
BRANCH   3  20
ATOM     20  C   LIG    1        2.182   0.759  -0.925  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1        2.340   0.707   0.464  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1        3.598   0.436   1.014  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1        4.720   0.223   0.195  0.00  0.00    -0.018 A 
ATOM     24  C   LIG    1        4.546   0.298  -1.197  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        3.291   0.568  -1.753  0.00  0.00    +0.013 A 
BRANCH  23  26
ATOM     26  C   LIG    1        6.042  -0.058   0.779  0.00  0.00    -0.018 A 
ATOM     27  C   LIG    1        6.221  -1.112   1.691  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1        7.475  -1.379   2.246  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        8.573  -0.596   1.899  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        8.417   0.454   0.998  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        7.162   0.719   0.442  0.00  0.00    +0.008 A 
ENDBRANCH  23  26
ENDBRANCH   3  20
TORSDOF 3