REMARK  Name = BDB057064
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.483  -1.577   0.539  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -2.667  -0.842   0.658  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -2.518   0.523   0.623  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -1.630   0.862   0.305  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -3.754  -1.404   0.777  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1        2.173   0.753   0.209  0.00  0.00    -0.302 NA
ATOM      7  C   LIG    1        1.018   0.929  -0.676  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1        0.204  -0.347  -0.889  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1       -0.096  -1.062   0.438  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1        0.357  -0.257   1.662  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1        1.831   0.134   1.501  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1        3.301   0.089  -0.471  0.00  0.00    +0.090 C 
BRANCH  12  14
ATOM     13  C   LIG    1        5.042   0.223   1.429  0.00  0.00    +0.012 C 
ATOM     14  C   LIG    1        4.722   0.562  -0.035  0.00  0.00    -0.025 C 
ATOM     15  C   LIG    1        4.870   2.080  -0.242  0.00  0.00    +0.012 C 
ATOM     16  C   LIG    1        5.756  -0.157  -0.926  0.00  0.00    +0.012 C 
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  C   LIG    1       -3.505   1.513   0.819  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1       -3.126   2.844   0.592  0.00  0.00    +0.035 A 
ATOM     19  C   LIG    1       -4.037   3.901   0.762  0.00  0.00    +0.057 A 
ATOM     20  C   LIG    1       -5.340   3.611   1.187  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1       -5.722   2.292   1.423  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -4.808   1.249   1.241  0.00  0.00    +0.023 A 
BRANCH  19  23
ATOM     23  C   LIG    1       -3.604   5.326   0.528  0.00  0.00    +0.417 C 
ATOM     24  F   LIG    1       -3.058   5.889   1.641  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1       -4.625   6.146   0.155  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1       -2.661   5.440  -0.449  0.00  0.00    -0.166 F 
ENDBRANCH  19  23
ENDBRANCH   3  17
BRANCH   1  27
ATOM     27  C   LIG    1       -1.629  -3.035   0.435  0.00  0.00    +0.144 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -1.408  -3.529  -0.978  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -2.341  -3.234  -1.983  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -2.137  -3.674  -3.291  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -1.000  -4.413  -3.609  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -0.067  -4.716  -2.619  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -0.269  -4.277  -1.309  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 7