REMARK  Name = BDB039537
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.823   0.797  -0.086  0.00  0.00    -0.281 N 
ATOM      2  C   LIG    1       -4.143   2.011  -0.101  0.00  0.00    +0.249 C 
ATOM      3  O   LIG    1       -4.637   3.120  -0.118  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -2.704   1.704  -0.082  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1       -2.587   0.318   0.041  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -1.337  -0.237   0.079  0.00  0.00    +0.130 A 
ATOM      7  O   LIG    1       -1.068  -1.568   0.213  0.00  0.00    -0.490 OA
ATOM      8  C   LIG    1        0.333  -1.654  -0.147  0.00  0.00    +0.240 C 
ATOM      9  C   LIG    1        1.015  -0.296   0.164  0.00  0.00    +0.036 C 
ATOM     10  C   LIG    1        1.524  -0.269   1.625  0.00  0.00    +0.030 C 
ATOM     11  C   LIG    1        2.724   0.666   1.775  0.00  0.00    +0.086 C 
ATOM     12  N   LIG    1        3.866   0.291   0.929  0.00  0.00    -0.298 NA
ATOM     13  C   LIG    1        3.491  -0.442  -0.290  0.00  0.00    +0.086 C 
ATOM     14  C   LIG    1        2.141   0.020  -0.836  0.00  0.00    +0.030 C 
ATOM     15  C   LIG    1       -0.204   0.567   0.011  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1       -0.317   1.955  -0.103  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1       -1.592   2.537  -0.157  0.00  0.00    +0.054 A 
ATOM     18 CL   LIG    1       -1.712   4.244  -0.305  0.00  0.00    -0.083 Cl
ATOM     19  C   LIG    1       -3.920  -0.327   0.134  0.00  0.00    +0.148 C 
ENDROOT
BRANCH   1  26
ATOM     20  O   LIG    1       -7.524  -1.724  -3.026  0.00  0.00    -0.275 OA
ATOM     21  C   LIG    1       -7.274  -0.947  -2.109  0.00  0.00    +0.219 C 
ATOM     22  N   LIG    1       -7.300  -1.370  -0.805  0.00  0.00    -0.255 N 
ATOM     23  H   LIG    1       -7.541  -2.342  -0.667  0.00  0.00    +0.158 HD
ATOM     24  C   LIG    1       -6.778  -0.725   0.292  0.00  0.00    +0.240 C 
ATOM     25  O   LIG    1       -6.605  -1.340   1.343  0.00  0.00    -0.273 OA
ATOM     26  C   LIG    1       -6.279   0.712   0.076  0.00  0.00    +0.163 C 
ATOM     27  C   LIG    1       -7.041   1.328  -1.103  0.00  0.00    +0.041 C 
ATOM     28  C   LIG    1       -6.855   0.481  -2.353  0.00  0.00    +0.098 C 
ENDBRANCH   1  26
BRANCH  12  29
ATOM     29  C   LIG    1        4.906  -0.414   1.698  0.00  0.00    +0.119 C 
BRANCH  29  30
ATOM     30  C   LIG    1        6.205  -0.596   0.939  0.00  0.00    -0.033 A 
ATOM     31  C   LIG    1        6.919   0.520   0.477  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        8.121   0.358  -0.214  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        8.623  -0.921  -0.447  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        7.925  -2.038   0.010  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1        6.722  -1.877   0.701  0.00  0.00    +0.005 A 
ENDBRANCH  29  30
ENDBRANCH  12  29
TORSDOF 3