REMARK  Name = BDB053639
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.522  -0.276  -0.174  0.00  0.00    -0.284 N 
ATOM      2  H   LIG    1       -0.068  -1.131   0.111  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.431   0.739  -0.230  0.00  0.00    +0.221 A 
ATOM      4  N   LIG    1        1.676   0.340   0.092  0.00  0.00    -0.195 NA
ATOM      5  C   LIG    1        2.586   1.326   0.033  0.00  0.00    +0.164 A 
ATOM      6  C   LIG    1        2.348   2.641  -0.314  0.00  0.00    +0.057 A 
ATOM      7  C   LIG    1        3.602   3.271  -0.228  0.00  0.00    +0.146 A 
ATOM      8  N   LIG    1        4.575   2.433   0.146  0.00  0.00    -0.177 NA
ATOM      9  C   LIG    1        1.041   2.964  -0.631  0.00  0.00    +0.127 A 
ATOM     10  N   LIG    1        3.929   1.248   0.300  0.00  0.00    -0.243 N 
ATOM     11  N   LIG    1        0.093   1.998  -0.583  0.00  0.00    -0.222 NA
BRANCH  10  12
ATOM     12  C   LIG    1        4.669   0.050   0.715  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1        5.704  -0.345  -0.362  0.00  0.00    +0.027 C 
ATOM     14  C   LIG    1        7.154   0.001  -0.023  0.00  0.00    +0.002 C 
ATOM     15  C   LIG    1        7.804  -0.854   1.074  0.00  0.00    +0.000 C 
ATOM     16  C   LIG    1        6.871  -1.735   1.901  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1        5.861  -0.984   2.762  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1        5.217   0.249   2.137  0.00  0.00    +0.027 C 
ENDBRANCH  10  12
ENDBRANCH   1   3
BRANCH   1  22
ATOM     19  C   LIG    1       -4.687  -0.604  -0.824  0.00  0.00    +0.051 A 
ATOM     20  C   LIG    1       -4.068   0.640  -0.949  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -2.688   0.765  -0.741  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1       -1.902  -0.336  -0.391  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1       -2.547  -1.577  -0.256  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1       -3.924  -1.711  -0.465  0.00  0.00    +0.026 A 
BRANCH  19  25
ATOM     25  N   LIG    1       -6.108  -0.754  -0.990  0.00  0.00    -0.205 N 
BRANCH  25  27
ATOM     26  C   LIG    1       -7.060   0.893   0.961  0.00  0.00    +0.218 C 
ATOM     27  S   LIG    1       -7.028  -0.812   0.441  0.00  0.00    +0.043 S 
ATOM     28  O   LIG    1       -6.315  -1.571   1.447  0.00  0.00    -0.155 OA
ATOM     29  O   LIG    1       -8.384  -1.181   0.082  0.00  0.00    -0.155 OA
ENDBRANCH  25  27
BRANCH  25  30
ATOM     30  C   LIG    1       -6.713  -0.162  -2.220  0.00  0.00    +0.159 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -7.721  -1.110  -2.876  0.00  0.00    +0.176 C 
BRANCH  31  32
ATOM     32  O   LIG    1       -9.046  -0.862  -2.417  0.00  0.00    -0.393 OA
ATOM     33  H   LIG    1       -9.073  -1.146  -1.475  0.00  0.00    +0.209 HD
ENDBRANCH  31  32
ENDBRANCH  30  31
ENDBRANCH  25  30
ENDBRANCH  19  25
ENDBRANCH   1  22
TORSDOF 8