REMARK  Name = BDB064296
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.505  -1.185  -0.310  0.00  0.00    +0.191 C 
ATOM      2  N   LIG    1       -0.319  -2.544  -0.308  0.00  0.00    -0.236 N 
ATOM      3  C   LIG    1        1.022  -2.778  -0.142  0.00  0.00    +0.272 C 
ATOM      4  O   LIG    1        1.638  -3.825  -0.054  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        1.593  -1.407  -0.076  0.00  0.00    +0.130 C 
ATOM      6  C   LIG    1        2.903  -1.187   0.091  0.00  0.00    +0.041 C 
ATOM      7  N   LIG    1        0.585  -0.485  -0.185  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   6   8
ATOM      8  C   LIG    1        3.558   0.127   0.189  0.00  0.00    -0.022 A 
ATOM      9  C   LIG    1        4.657   0.258   1.054  0.00  0.00    +0.025 A 
ATOM     10  C   LIG    1        5.311   1.500   1.140  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1        4.910   2.601   0.382  0.00  0.00    +0.078 A 
ATOM     12  N   LIG    1        5.649   3.758   0.574  0.00  0.00    -0.247 NA
ATOM     13  C   LIG    1        6.592   3.531   1.459  0.00  0.00    +0.157 A 
ATOM     14  C   LIG    1        3.820   2.453  -0.496  0.00  0.00    +0.029 A 
ATOM     15  S   LIG    1        6.661   1.951   2.114  0.00  0.00    -0.075 S 
ATOM     16  C   LIG    1        3.161   1.220  -0.587  0.00  0.00    +0.010 A 
ENDBRANCH   6   8
BRANCH   2  17
ATOM     17  C   LIG    1       -1.350  -3.579  -0.474  0.00  0.00    +0.084 C 
ATOM     18  C   LIG    1       -1.035  -4.735  -1.455  0.00  0.00    +0.023 C 
ATOM     19  C   LIG    1       -1.751  -5.674  -0.461  0.00  0.00    +0.004 C 
ATOM     20  C   LIG    1       -1.424  -4.647   0.644  0.00  0.00    +0.023 C 
ENDBRANCH   2  17
BRANCH   1  21
ATOM     21  N   LIG    1       -1.758  -0.643  -0.430  0.00  0.00    -0.311 N 
ATOM     22  H   LIG    1       -2.484  -1.225  -0.024  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -2.056   0.775  -0.150  0.00  0.00    +0.099 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -1.841   1.063   1.351  0.00  0.00    +0.181 C 
BRANCH  24  26
ATOM     25  C   LIG    1       -2.517   0.380   3.507  0.00  0.00    +0.194 C 
ATOM     26  O   LIG    1       -2.717   0.211   2.109  0.00  0.00    -0.381 OA
ENDBRANCH  24  26
ENDBRANCH  23  24
BRANCH  23  27
ATOM     27  C   LIG    1       -1.260   1.714  -1.079  0.00  0.00    +0.027 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.020   2.944  -1.621  0.00  0.00    -0.015 C 
ATOM     29  C   LIG    1       -2.563   3.854  -0.523  0.00  0.00    +0.007 C 
ATOM     30  C   LIG    1       -3.135   2.551  -2.592  0.00  0.00    +0.007 C 
ENDBRANCH  27  28
ENDBRANCH  23  27
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 8