REMARK  Name = BDB060070
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.904  -1.187   1.522  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -2.068  -1.324   0.402  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1       -0.742  -1.706   0.644  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -0.256  -1.956   1.923  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1        1.068  -2.305   1.886  0.00  0.00    -0.229 NA
ATOM      6  C   LIG    1        1.419  -2.268   0.613  0.00  0.00    +0.148 A 
ATOM      7  C   LIG    1       -1.115  -1.839   3.027  0.00  0.00    +0.033 A 
ATOM      8  N   LIG    1        0.341  -1.926  -0.177  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1        0.344  -1.797  -1.615  0.00  0.00    +0.150 C 
ATOM     10  C   LIG    1       -2.445  -1.460   2.811  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1       -4.235  -0.847   1.400  0.00  0.00    -0.454 OA
BRANCH  11  16
ATOM     12  C   LIG    1       -5.780   3.337  -2.007  0.00  0.00    +0.065 C 
ATOM     13  C   LIG    1       -5.328   2.244  -1.086  0.00  0.00    +0.038 A 
ATOM     14  N   LIG    1       -5.957   1.048  -1.183  0.00  0.00    -0.257 NA
ATOM     15  C   LIG    1       -5.555   0.067  -0.340  0.00  0.00    +0.157 A 
ATOM     16  C   LIG    1       -4.535   0.214   0.586  0.00  0.00    +0.146 A 
ATOM     17  C   LIG    1       -3.913   1.455   0.687  0.00  0.00    +0.049 A 
ATOM     18  C   LIG    1       -4.310   2.484  -0.164  0.00  0.00    +0.026 A 
ENDBRANCH  11  16
ENDBRANCH   1  11
BRANCH   6  19
ATOM     19  C   LIG    1        2.789  -2.560   0.092  0.00  0.00    +0.303 C 
BRANCH  19  20
ATOM     20  O   LIG    1        3.221  -1.492  -0.758  0.00  0.00    -0.484 OA
BRANCH  20  21
ATOM     21  C   LIG    1        3.853  -0.422  -0.187  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1        4.499   0.422  -1.095  0.00  0.00    +0.060 A 
ATOM     23  C   LIG    1        5.180   1.561  -0.648  0.00  0.00    +0.062 A 
ATOM     24  C   LIG    1        5.205   1.861   0.719  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1        4.547   1.028   1.624  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        3.872  -0.109   1.173  0.00  0.00    +0.046 A 
BRANCH  23  27
ATOM     27  C   LIG    1        5.884   2.473  -1.580  0.00  0.00    +0.337 C 
ATOM     28  O   LIG    1        6.507   3.470  -1.267  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1        5.779   2.091  -2.865  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1        6.285   2.774  -3.353  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  23  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 7