REMARK  Name = BDB017358
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.473  -0.758   0.733  0.00  0.00    -0.314 N 
ATOM      2  H   LIG    1       -1.754  -0.967   1.690  0.00  0.00    +0.152 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -2.373  -1.403  -0.161  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1       -3.697  -0.939  -0.344  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -4.533  -1.769  -1.108  0.00  0.00    +0.143 A 
ATOM      6  N   LIG    1       -5.868  -1.440  -1.282  0.00  0.00    -0.307 N 
ATOM      7  H   LIG    1       -6.432  -2.087  -1.811  0.00  0.00    +0.170 HD
ATOM      8  C   LIG    1       -6.470  -0.351  -0.743  0.00  0.00    +0.254 A 
ATOM      9  C   LIG    1       -5.592   0.590   0.013  0.00  0.00    +0.021 A 
ATOM     10  C   LIG    1       -6.290   1.823   0.530  0.00  0.00    +0.041 C 
ATOM     11  C   LIG    1       -5.445   2.631   1.510  0.00  0.00    +0.005 C 
ATOM     12  C   LIG    1       -4.018   2.750   1.003  0.00  0.00    +0.005 C 
ATOM     13  C   LIG    1       -3.380   1.367   0.838  0.00  0.00    +0.036 C 
ATOM     14  O   LIG    1       -7.670  -0.141  -0.888  0.00  0.00    -0.268 OA
ATOM     15  N   LIG    1       -4.168  -2.932  -1.690  0.00  0.00    -0.237 NA
ATOM     16  C   LIG    1       -2.900  -3.330  -1.501  0.00  0.00    +0.115 A 
ATOM     17  C   LIG    1       -4.274   0.338   0.179  0.00  0.00    -0.027 A 
ATOM     18  C   LIG    1       -1.990  -2.623  -0.742  0.00  0.00    +0.043 A 
ENDBRANCH   1   3
BRANCH   1  22
ATOM     19  C   LIG    1        2.738  -0.307   0.436  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1        1.960  -0.407  -0.715  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        0.570  -0.564  -0.623  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1       -0.068  -0.656   0.618  0.00  0.00    +0.031 A 
ATOM     23  C   LIG    1        0.713  -0.519   1.770  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1        2.102  -0.361   1.681  0.00  0.00    +0.025 A 
BRANCH  19  27
ATOM     25  O   LIG    1        4.623   0.061  -1.842  0.00  0.00    -0.270 OA
ATOM     26  C   LIG    1        4.965  -0.015  -0.669  0.00  0.00    +0.248 C 
ATOM     27  N   LIG    1        4.140  -0.154   0.433  0.00  0.00    -0.282 N 
ATOM     28  H   LIG    1        4.572  -0.075   1.344  0.00  0.00    +0.155 HD
BRANCH  26  29
ATOM     29  C   LIG    1        6.419   0.088  -0.354  0.00  0.00    +0.037 A 
ATOM     30  C   LIG    1        7.214   0.932  -1.143  0.00  0.00    +0.016 A 
ATOM     31  C   LIG    1        8.580   1.053  -0.882  0.00  0.00    +0.039 A 
ATOM     32  C   LIG    1        9.145   0.323   0.157  0.00  0.00    +0.123 A 
ATOM     33  F   LIG    1       10.456   0.437   0.408  0.00  0.00    -0.205 F 
ATOM     34  C   LIG    1        8.373  -0.533   0.937  0.00  0.00    +0.039 A 
ATOM     35  C   LIG    1        7.005  -0.657   0.681  0.00  0.00    +0.016 A 
ENDBRANCH  26  29
ENDBRANCH  19  27
ENDBRANCH   1  22
TORSDOF 4