REMARK  Name = BDB060680
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.264  -0.258   1.673  0.00  0.00    -0.013 A 
ATOM      2  C   LIG    1        1.005   0.551   0.564  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -0.273   0.604  -0.011  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -1.337  -0.152   0.500  0.00  0.00    -0.041 A 
ATOM      5  C   LIG    1       -1.063  -0.966   1.614  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        0.212  -1.020   2.191  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.749  -0.120  -0.108  0.00  0.00    -0.003 C 
ATOM      8  C   LIG    1       -3.157  -1.544  -0.588  0.00  0.00    +0.015 C 
ATOM      9  C   LIG    1       -4.591  -1.553  -1.148  0.00  0.00    -0.010 C 
ATOM     10  C   LIG    1       -5.565  -1.087  -0.054  0.00  0.00    +0.007 C 
ATOM     11  C   LIG    1       -5.212   0.340   0.395  0.00  0.00    -0.010 C 
ATOM     12  C   LIG    1       -5.294   1.287  -0.810  0.00  0.00    +0.007 C 
ATOM     13  C   LIG    1       -4.316   0.828  -1.901  0.00  0.00    -0.010 C 
ATOM     14  C   LIG    1       -4.677  -0.597  -2.345  0.00  0.00    +0.007 C 
ATOM     15  C   LIG    1       -3.780   0.355   0.959  0.00  0.00    +0.015 C 
ATOM     16  C   LIG    1       -2.886   0.834  -1.334  0.00  0.00    +0.015 C 
ENDBRANCH   4   7
BRANCH   1  24
ATOM     17  C   LIG    1        5.575   0.309   0.187  0.00  0.00    +0.075 A 
ATOM     18  N   LIG    1        4.242   0.181   0.397  0.00  0.00    -0.243 NA
ATOM     19  C   LIG    1        3.879  -0.097   1.676  0.00  0.00    +0.117 A 
ATOM     20  C   LIG    1        4.804  -0.242   2.700  0.00  0.00    +0.154 A 
ATOM     21  O   LIG    1        4.177  -0.515   3.874  0.00  0.00    -0.461 OA
ATOM     22  C   LIG    1        2.844  -0.544   3.602  0.00  0.00    +0.206 A 
ATOM     23  C   LIG    1        6.169  -0.115   2.500  0.00  0.00    +0.050 A 
ATOM     24  C   LIG    1        2.595  -0.302   2.262  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1        6.546   0.171   1.186  0.00  0.00    +0.032 A 
BRANCH  17  27
ATOM     26  C   LIG    1        5.093   0.700  -2.330  0.00  0.00    +0.144 A 
ATOM     27  C   LIG    1        5.932   0.606  -1.193  0.00  0.00    +0.038 A 
ATOM     28  C   LIG    1        7.191   0.872  -1.693  0.00  0.00    +0.115 A 
ATOM     29  N   LIG    1        7.034   1.096  -3.032  0.00  0.00    -0.284 N 
ATOM     30  H   LIG    1        7.746   1.321  -3.719  0.00  0.00    +0.188 HD
ATOM     31  N   LIG    1        5.763   0.998  -3.447  0.00  0.00    -0.182 NA
ENDBRANCH  17  27
ENDBRANCH   1  24
TORSDOF 3