REMARK  Name = BDB015762
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.896  -0.297   0.428  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1       -2.306   0.682   1.241  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -1.373   1.581   1.605  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1       -0.066   1.509   1.159  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1        0.256   0.480   0.298  0.00  0.00    +0.127 A 
ATOM      6  N   LIG    1       -0.654  -0.428  -0.064  0.00  0.00    -0.180 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.811   2.661   2.527  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.739   2.376   3.461  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -3.203   3.322   4.364  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -4.200   2.914   5.341  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -2.744   4.636   4.368  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -3.105   5.514   5.147  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -1.740   4.967   3.325  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -1.316   4.030   2.467  0.00  0.00    +0.017 A 
ENDBRANCH   3   7
BRANCH   5  15
ATOM     15  N   LIG    1        1.579   0.357  -0.133  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1        1.974   1.240  -0.435  0.00  0.00    +0.148 HD
BRANCH  15  17
ATOM     17  C   LIG    1        1.894  -0.743  -1.053  0.00  0.00    +0.102 C 
ATOM     18  C   LIG    1        3.402  -0.956  -0.999  0.00  0.00    -0.024 A 
ATOM     19  C   LIG    1        4.251  -0.578  -2.058  0.00  0.00    -0.042 A 
ATOM     20  C   LIG    1        5.633  -0.802  -1.947  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        6.173  -1.372  -0.794  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        5.340  -1.730   0.260  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        3.712   0.002  -3.340  0.00  0.00    +0.035 C 
ATOM     24  C   LIG    1        2.296   0.552  -3.202  0.00  0.00    +0.007 C 
ATOM     25  C   LIG    1        3.965  -1.524   0.159  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        1.401  -0.452  -2.482  0.00  0.00    +0.027 C 
ENDBRANCH  15  17
ENDBRANCH   5  15
BRANCH   1  27
ATOM     27  O   LIG    1       -2.888  -1.191   0.039  0.00  0.00    -0.420 OA
BRANCH  27  30
ATOM     28  C   LIG    1       -3.296  -1.222  -2.793  0.00  0.00    +0.047 C 
ATOM     29  C   LIG    1       -2.650  -2.354  -2.052  0.00  0.00    -0.005 A 
ATOM     30  C   LIG    1       -2.452  -2.290  -0.664  0.00  0.00    +0.170 A 
ATOM     31  C   LIG    1       -1.861  -3.357   0.017  0.00  0.00    +0.166 A 
ATOM     32  F   LIG    1       -1.711  -3.309   1.349  0.00  0.00    -0.202 F 
ATOM     33  C   LIG    1       -1.423  -4.482  -0.672  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1       -1.588  -4.547  -2.055  0.00  0.00    +0.003 A 
ATOM     35  C   LIG    1       -2.199  -3.491  -2.740  0.00  0.00    +0.007 A 
ENDBRANCH  27  30
ENDBRANCH   1  27
TORSDOF 5