REMARK  Name = BDB058019
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.412   1.569  -1.375  0.00  0.00    -0.021 A 
ATOM      2  C   LIG    1       -1.246   0.853  -0.187  0.00  0.00    +0.010 A 
ATOM      3  C   LIG    1        0.014   0.362   0.192  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1        1.155   0.587  -0.586  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        0.977   1.311  -1.774  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1       -0.278   1.799  -2.161  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  13
ATOM      7  C   LIG    1       -6.419  -0.259   0.116  0.00  0.00    +0.079 A 
ATOM      8  C   LIG    1       -5.637   0.616  -0.616  0.00  0.00    +0.152 A 
ATOM      9  O   LIG    1       -4.262   0.675  -0.645  0.00  0.00    -0.451 OA
ATOM     10  C   LIG    1       -3.930   1.722  -1.492  0.00  0.00    +0.176 C 
ATOM     11  C   LIG    1       -5.157   2.362  -2.034  0.00  0.00    +0.231 C 
ATOM     12  O   LIG    1       -5.266   3.299  -2.794  0.00  0.00    -0.283 OA
ATOM     13  C   LIG    1       -2.697   2.131  -1.822  0.00  0.00    +0.058 C 
ATOM     14  C   LIG    1       -6.228   1.589  -1.421  0.00  0.00    +0.068 A 
ATOM     15  C   LIG    1       -7.596   1.731  -1.549  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1       -8.398   0.843  -0.831  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -7.818  -0.144  -0.007  0.00  0.00    +0.017 A 
BRANCH   7  21
ATOM     18  N   LIG    1       -6.514  -1.708   2.066  0.00  0.00    -0.325 N 
ATOM     19  H   LIG    1       -6.023  -2.321   2.706  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1       -7.294  -1.184   2.436  0.00  0.00    +0.145 HD
ATOM     21  C   LIG    1       -5.795  -1.290   0.979  0.00  0.00    +0.245 C 
ATOM     22  O   LIG    1       -4.681  -1.743   0.759  0.00  0.00    -0.270 OA
ENDBRANCH   7  21
ENDBRANCH   1  13
BRANCH   4  23
ATOM     23  N   LIG    1        2.434   0.111  -0.256  0.00  0.00    -0.327 N 
ATOM     24  C   LIG    1        2.530  -0.958   0.766  0.00  0.00    +0.124 C 
ATOM     25  C   LIG    1        3.961  -1.538   0.826  0.00  0.00    +0.127 C 
ATOM     26  N   LIG    1        4.957  -0.471   1.034  0.00  0.00    -0.297 N 
ATOM     27  C   LIG    1        4.857   0.639   0.069  0.00  0.00    +0.127 C 
ATOM     28  C   LIG    1        3.417   1.197  -0.005  0.00  0.00    +0.124 C 
BRANCH  26  29
ATOM     29  C   LIG    1        6.259  -0.949   1.202  0.00  0.00    +0.218 A 
ATOM     30  N   LIG    1        7.293  -0.130   0.935  0.00  0.00    -0.223 NA
ATOM     31  C   LIG    1        8.539  -0.600   1.135  0.00  0.00    +0.116 A 
ATOM     32  C   LIG    1        8.808  -1.861   1.596  0.00  0.00    +0.039 A 
ATOM     33  C   LIG    1        7.703  -2.629   1.847  0.00  0.00    +0.116 A 
ATOM     34  N   LIG    1        6.440  -2.200   1.662  0.00  0.00    -0.223 NA
ENDBRANCH  26  29
ENDBRANCH   4  23
TORSDOF 4