REMARK  Name = BDB012547
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.353   1.208   0.079  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1        0.705   0.796  -0.911  0.00  0.00    +0.159 C 
ATOM      3  C   LIG    1        1.669   1.900  -0.721  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1        1.281   2.800   0.224  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1        2.268   3.785   0.318  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        3.247   3.434  -0.603  0.00  0.00    +0.086 A 
ATOM      7  N   LIG    1        2.864   2.269  -1.239  0.00  0.00    -0.351 N 
ATOM      8  C   LIG    1        3.620   1.584  -2.259  0.00  0.00    +0.148 C 
ATOM      9  C   LIG    1        0.008   2.409   0.766  0.00  0.00    +0.254 C 
ATOM     10  O   LIG    1       -0.590   3.041   1.620  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     11  C   LIG    1       -4.609   0.516   2.585  0.00  0.00    +0.049 C 
ATOM     12  C   LIG    1       -3.656   0.209   1.474  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1       -4.059  -0.868   0.521  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1       -5.137  -1.443   0.656  0.00  0.00    -0.267 OA
ATOM     15  N   LIG    1       -3.140  -1.153  -0.485  0.00  0.00    -0.316 N 
ATOM     16  C   LIG    1       -3.452  -2.196  -1.450  0.00  0.00    +0.152 C 
ATOM     17  C   LIG    1       -1.942  -0.468  -0.616  0.00  0.00    +0.112 A 
ATOM     18  C   LIG    1       -1.563   0.519   0.221  0.00  0.00    +0.054 A 
ATOM     19  C   LIG    1       -2.480   0.837   1.306  0.00  0.00    +0.033 A 
ENDBRANCH   1  18
BRANCH   2  20
ATOM     20  C   LIG    1        1.324  -0.565  -0.632  0.00  0.00    -0.021 A 
ATOM     21  C   LIG    1        1.576  -1.447  -1.696  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        2.156  -2.697  -1.465  0.00  0.00    +0.019 A 
ATOM     23  C   LIG    1        2.500  -3.083  -0.166  0.00  0.00    +0.052 A 
ATOM     24  C   LIG    1        2.263  -2.212   0.899  0.00  0.00    +0.019 A 
ATOM     25  C   LIG    1        1.683  -0.962   0.668  0.00  0.00    +0.007 A 
BRANCH  23  26
ATOM     26  C   LIG    1        3.098  -4.365   0.069  0.00  0.00    +0.099 C 
ATOM     27  N   LIG    1        3.584  -5.403   0.249  0.00  0.00    -0.191 NA
ENDBRANCH  23  26
ENDBRANCH   2  20
TORSDOF 3