REMARK  Name = BDB057620
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.244  -1.024   2.531  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1        0.997  -0.061   3.159  0.00  0.00    -0.305 N 
ATOM      3  H   LIG    1        1.213   0.792   2.658  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.067  -2.161   2.952  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      5  C   LIG    1       -4.232   1.344  -1.015  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1       -3.574   0.920   0.158  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1       -2.281   0.379   0.139  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1       -1.621   0.253  -1.074  0.00  0.00    +0.139 A 
ATOM      9  O   LIG    1       -0.322  -0.280  -1.147  0.00  0.00    -0.422 OA
ATOM     10  C   LIG    1        0.356  -0.697  -0.004  0.00  0.00    +0.350 A 
ATOM     11  C   LIG    1       -0.372  -0.569   1.271  0.00  0.00    +0.122 A 
ATOM     12  O   LIG    1        1.504  -1.122  -0.067  0.00  0.00    -0.244 OA
ATOM     13  C   LIG    1       -2.222   0.651  -2.257  0.00  0.00    +0.049 A 
ATOM     14  C   LIG    1       -1.612  -0.066   1.351  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -3.514   1.189  -2.217  0.00  0.00    +0.027 A 
BRANCH   5  16
ATOM     16  N   LIG    1       -5.516   1.882  -0.988  0.00  0.00    -0.330 N 
BRANCH  16  18
ATOM     17  C   LIG    1       -6.991   1.360   0.925  0.00  0.00    +0.024 C 
ATOM     18  C   LIG    1       -6.106   2.400   0.254  0.00  0.00    +0.102 C 
ENDBRANCH  16  18
BRANCH  16  19
ATOM     19  C   LIG    1       -6.341   1.997  -2.200  0.00  0.00    +0.102 C 
ATOM     20  C   LIG    1       -6.832   0.638  -2.680  0.00  0.00    +0.024 C 
ENDBRANCH  16  19
ENDBRANCH   5  16
ENDBRANCH   1  11
BRANCH   2  21
ATOM     21  C   LIG    1        1.941  -0.433   4.195  0.00  0.00    +0.163 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.225  -0.757   3.528  0.00  0.00    +0.100 A 
ATOM     23  N   LIG    1        4.175   0.207   3.308  0.00  0.00    -0.133 NA
ATOM     24  N   LIG    1        5.151  -0.332   2.590  0.00  0.00    -0.065 NA
ATOM     25  N   LIG    1        4.815  -1.610   2.351  0.00  0.00    -0.251 N 
ATOM     26  C   LIG    1        3.639  -1.938   2.950  0.00  0.00    +0.135 A 
BRANCH  25  27
ATOM     27  C   LIG    1        5.606  -2.421   1.453  0.00  0.00    +0.146 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.998  -2.518   0.051  0.00  0.00    +0.036 C 
BRANCH  28  29
ATOM     29  C   LIG    1        4.935  -1.188  -0.699  0.00  0.00    +0.133 C 
BRANCH  29  30
ATOM     30  P   LIG    1        6.536  -0.505  -1.116  0.00  0.00    +0.369 P 
ATOM     31  F   LIG    1        7.328   0.009   0.137  0.00  0.00    -0.156 F 
ATOM     32  O   LIG    1        7.395  -1.448  -1.908  0.00  0.00    -0.254 OA
BRANCH  30  33
ATOM     33  O   LIG    1        6.199   0.865  -1.905  0.00  0.00    -0.308 OA
ATOM     34  C   LIG    1        5.889   0.765  -3.280  0.00  0.00    +0.205 C 
ENDBRANCH  30  33
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 11