REMARK  Name = BDB053744
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.764  -1.325   0.215  0.00  0.00    +0.084 A 
ATOM      2  C   LIG    1        0.317  -1.800   1.468  0.00  0.00    +0.101 A 
ATOM      3  C   LIG    1       -1.069  -1.938   1.409  0.00  0.00    +0.073 A 
ATOM      4  C   LIG    1       -1.766  -2.453   2.516  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -1.018  -2.758   3.648  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1        0.350  -2.558   3.624  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1       -1.471  -1.573   0.126  0.00  0.00    -0.310 N 
ATOM      8  N   LIG    1        1.048  -2.088   2.574  0.00  0.00    -0.253 NA
ATOM      9  C   LIG    1       -0.356  -1.155  -0.598  0.00  0.00    +0.043 A 
ENDROOT
BRANCH   1  11
ATOM     10  O   LIG    1        2.653  -1.777  -1.055  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1        2.133  -1.063  -0.199  0.00  0.00    +0.251 C 
ATOM     12  N   LIG    1        2.774   0.052   0.339  0.00  0.00    -0.295 N 
ATOM     13  C   LIG    1        4.194   0.229   0.043  0.00  0.00    +0.123 C 
ATOM     14  C   LIG    1        4.606   1.710   0.026  0.00  0.00    +0.100 C 
ATOM     15  N   LIG    1        4.210   2.427   1.251  0.00  0.00    -0.313 NA
ATOM     16  H   LIG    1        4.442   3.414   1.143  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1        2.758   2.291   1.447  0.00  0.00    +0.100 C 
ATOM     18  C   LIG    1        2.278   0.828   1.480  0.00  0.00    +0.123 C 
ENDBRANCH   1  11
BRANCH   7  19
ATOM     19  C   LIG    1       -2.814  -1.625  -0.341  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1       -3.843  -1.068   0.429  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -5.160  -1.121  -0.030  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -5.452  -1.736  -1.247  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.429  -2.303  -2.008  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -3.110  -2.251  -1.557  0.00  0.00    +0.026 A 
ENDBRANCH   7  19
BRANCH   9  25
ATOM     25  C   LIG    1       -0.387  -0.529  -1.968  0.00  0.00    +0.092 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -0.307   0.980  -1.910  0.00  0.00    -0.004 A 
ATOM     27  C   LIG    1        0.864   1.652  -2.275  0.00  0.00    +0.162 A 
ATOM     28  F   LIG    1        1.930   0.962  -2.705  0.00  0.00    -0.202 F 
ATOM     29  C   LIG    1        0.941   3.039  -2.200  0.00  0.00    +0.159 A 
ATOM     30  F   LIG    1        2.074   3.670  -2.540  0.00  0.00    -0.202 F 
ATOM     31  C   LIG    1       -0.148   3.788  -1.767  0.00  0.00    +0.041 A 
ATOM     32  C   LIG    1       -1.327   3.137  -1.409  0.00  0.00    +0.003 A 
ATOM     33  C   LIG    1       -1.408   1.743  -1.481  0.00  0.00    +0.007 A 
ENDBRANCH  25  26
ENDBRANCH   9  25
TORSDOF 4