REMARK  Name = BDB058540
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.300  -1.453   0.353  0.00  0.00    +0.035 C 
ATOM      2  C   LIG    1       -0.388  -2.276  -0.772  0.00  0.00    +0.092 C 
ATOM      3  N   LIG    1       -1.074  -1.410  -1.738  0.00  0.00    -0.303 NA
ATOM      4  C   LIG    1       -1.550  -2.159  -2.898  0.00  0.00    +0.105 C 
ATOM      5  C   LIG    1       -2.170  -0.643  -1.116  0.00  0.00    +0.106 C 
ATOM      6  C   LIG    1       -1.922  -0.264   0.371  0.00  0.00    +0.088 C 
ATOM      7  C   LIG    1       -0.425  -0.121   0.641  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        4.541  -0.745  -0.271  0.00  0.00    -0.047 A 
ATOM      9  C   LIG    1        3.623  -0.469  -1.290  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1        2.258  -0.699  -1.096  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        1.782  -1.210   0.119  0.00  0.00    -0.043 A 
ATOM     12  C   LIG    1        2.704  -1.471   1.142  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        4.069  -1.242   0.949  0.00  0.00    +0.004 A 
BRANCH   8  14
ATOM     14  C   LIG    1        6.011  -0.479  -0.473  0.00  0.00    +0.035 C 
BRANCH  14  15
ATOM     15  C   LIG    1        6.391   0.944  -0.059  0.00  0.00    +0.004 C 
BRANCH  15  17
ATOM     16  C   LIG    1        8.266   2.616   0.141  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1        7.883   1.203  -0.268  0.00  0.00    -0.003 C 
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH   8  14
ENDBRANCH   1  11
BRANCH   6  18
ATOM     18  N   LIG    1       -2.599   0.993   0.732  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1       -2.317   1.702   0.053  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.976   1.016   0.774  0.00  0.00    +0.199 A 
ATOM     21  N   LIG    1       -4.647   0.435   1.857  0.00  0.00    -0.282 N 
ATOM     22  C   LIG    1       -3.933  -0.084   3.009  0.00  0.00    +0.155 C 
ATOM     23  C   LIG    1       -6.041   0.369   1.910  0.00  0.00    +0.279 A 
ATOM     24  O   LIG    1       -6.684  -0.172   2.806  0.00  0.00    -0.265 OA
ATOM     25  C   LIG    1       -6.651   1.005   0.794  0.00  0.00    +0.130 A 
ATOM     26  C   LIG    1       -5.941   1.594  -0.206  0.00  0.00    +0.097 A 
ATOM     27  C   LIG    1       -6.830   2.132  -1.146  0.00  0.00    +0.047 A 
ATOM     28  C   LIG    1       -8.101   1.850  -0.678  0.00  0.00    +0.085 A 
ATOM     29  N   LIG    1       -7.979   1.161   0.509  0.00  0.00    -0.355 N 
ATOM     30  H   LIG    1       -8.740   0.823   1.087  0.00  0.00    +0.166 HD
ATOM     31  N   LIG    1       -4.553   1.611  -0.242  0.00  0.00    -0.214 NA
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 6