REMARK  Name = BDB039115
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        6.352  -0.639  -0.054  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        5.122  -1.154   0.315  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1        3.882  -0.590  -0.213  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1        2.624  -1.108   0.437  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        2.659  -2.089   1.454  0.00  0.00    -0.039 A 
ATOM      6  C   LIG    1        1.476  -2.536   2.057  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        0.225  -2.055   1.657  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.197  -1.098   0.637  0.00  0.00    +0.071 A 
ATOM      9  N   LIG    1       -0.819  -0.423  -0.017  0.00  0.00    -0.309 N 
ATOM     10  C   LIG    1       -0.231   0.456  -0.910  0.00  0.00    +0.200 A 
ATOM     11  N   LIG    1        1.072   0.307  -0.925  0.00  0.00    -0.214 NA
ATOM     12  C   LIG    1        3.988  -2.616   1.935  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        1.361  -0.626   0.036  0.00  0.00    +0.096 A 
ATOM     14  C   LIG    1        5.058  -2.503   0.853  0.00  0.00    +0.116 C 
ATOM     15  O   LIG    1        7.425  -1.176   0.197  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  10  16
ATOM     16  N   LIG    1       -0.957   1.318  -1.676  0.00  0.00    -0.299 N 
ATOM     17  C   LIG    1       -0.325   1.665  -2.971  0.00  0.00    +0.123 C 
ATOM     18  C   LIG    1       -1.206   2.668  -3.745  0.00  0.00    +0.100 C 
ATOM     19  N   LIG    1       -1.466   3.944  -3.044  0.00  0.00    -0.313 NA
ATOM     20  H   LIG    1       -2.454   4.170  -3.155  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1       -1.145   3.833  -1.610  0.00  0.00    +0.100 C 
ATOM     22  C   LIG    1       -1.534   2.485  -0.965  0.00  0.00    +0.123 C 
ENDBRANCH  10  16
BRANCH   1  24
ATOM     23  C   LIG    1        7.489   1.106  -1.128  0.00  0.00    +0.282 C 
ATOM     24  O   LIG    1        6.241   0.536  -0.733  0.00  0.00    -0.454 OA
ENDBRANCH   1  24
BRANCH   9  25
ATOM     25  C   LIG    1       -2.260  -0.643   0.140  0.00  0.00    +0.092 C 
ATOM     26  C   LIG    1       -2.654  -2.090  -0.184  0.00  0.00    +0.031 C 
BRANCH  25  27
ATOM     27  C   LIG    1       -2.746  -0.166   1.522  0.00  0.00    +0.060 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -4.251  -0.133   1.660  0.00  0.00    -0.045 A 
ATOM     29  C   LIG    1       -4.919  -1.128   2.387  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -6.309  -1.106   2.504  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -7.045  -0.090   1.897  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -6.391   0.905   1.173  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -5.001   0.884   1.055  0.00  0.00    +0.004 A 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   9  25
TORSDOF 5