REMARK  Name = BDB053468
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.719   0.028   0.191  0.00  0.00    +0.166 A 
ATOM      2  C   LIG    1        2.064   0.508  -0.118  0.00  0.00    +0.179 A 
ATOM      3  N   LIG    1        3.158  -0.289   0.116  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1        4.260   0.439  -0.273  0.00  0.00    +0.076 A 
ATOM      5  C   LIG    1        3.746   1.643  -0.722  0.00  0.00    +0.140 A 
ATOM      6  C   LIG    1        2.971  -1.551   0.645  0.00  0.00    +0.113 A 
ATOM      7  C   LIG    1        1.717  -1.950   0.911  0.00  0.00    +0.131 A 
ATOM      8  N   LIG    1        2.377   1.683  -0.626  0.00  0.00    -0.232 NA
ATOM      9  N   LIG    1        0.592  -1.180   0.689  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1        5.762   0.055  -0.240  0.00  0.00    +0.038 A 
ATOM     11  C   LIG    1        6.788   0.873  -0.659  0.00  0.00    +0.118 A 
ATOM     12  N   LIG    1        7.939   0.167  -0.465  0.00  0.00    -0.274 N 
ATOM     13  C   LIG    1        9.285   0.600  -0.752  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        7.733  -1.058   0.050  0.00  0.00    -0.179 NA
ATOM     15  C   LIG    1        6.405  -1.121   0.187  0.00  0.00    +0.144 A 
ENDBRANCH   4  10
BRANCH   1  16
ATOM     16  N   LIG    1       -0.337   0.879  -0.072  0.00  0.00    -0.297 N 
ATOM     17  H   LIG    1       -0.045   1.772  -0.459  0.00  0.00    +0.154 HD
BRANCH  16  21
ATOM     18  C   LIG    1       -4.496   0.634   0.598  0.00  0.00    +0.106 A 
ATOM     19  C   LIG    1       -3.949   1.716  -0.088  0.00  0.00    +0.030 A 
ATOM     20  C   LIG    1       -2.566   1.770  -0.288  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1       -1.710   0.761   0.194  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1       -2.291  -0.314   0.877  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1       -3.674  -0.380   1.087  0.00  0.00    +0.030 A 
BRANCH  18  24
ATOM     24  S   LIG    1       -6.247   0.531   0.863  0.00  0.00    +0.060 S 
ATOM     25  O   LIG    1       -6.452   0.311   2.279  0.00  0.00    -0.153 OA
ATOM     26  O   LIG    1       -6.882   1.636   0.175  0.00  0.00    -0.153 OA
BRANCH  24  28
ATOM     27  C   LIG    1       -6.488  -0.849  -1.440  0.00  0.00    +0.131 C 
ATOM     28  N   LIG    1       -6.677  -0.901   0.027  0.00  0.00    -0.183 NA
ATOM     29  C   LIG    1       -8.028  -1.389   0.382  0.00  0.00    +0.131 C 
ENDBRANCH  24  28
ENDBRANCH  18  24
ENDBRANCH  16  21
ENDBRANCH   1  16
TORSDOF 5