REMARK  Name = BDB001495
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.338   1.926   0.701  0.00  0.00    -0.299 N 
ATOM      2  C   LIG    1        2.960   2.123   0.767  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1        2.816   3.443   1.197  0.00  0.00    +0.089 A 
ATOM      4  C   LIG    1        1.535   3.992   1.356  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        0.412   3.191   1.110  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        0.547   1.851   0.726  0.00  0.00    +0.041 A 
ATOM      7  N   LIG    1        4.026   4.029   1.432  0.00  0.00    -0.235 NA
ATOM      8  C   LIG    1        1.835   1.300   0.562  0.00  0.00    +0.041 A 
ATOM      9  C   LIG    1        4.909   3.098   1.157  0.00  0.00    +0.205 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        6.522  -1.456  -0.647  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1        7.082  -0.563   0.266  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1        6.366   0.553   0.711  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        5.062   0.784   0.250  0.00  0.00    +0.048 A 
ATOM     14  C   LIG    1        4.509  -0.103  -0.680  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1        5.234  -1.219  -1.123  0.00  0.00    +0.047 A 
BRANCH  10  17
ATOM     16  C   LIG    1        6.796  -3.453  -1.907  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1        7.331  -2.501  -0.996  0.00  0.00    -0.495 OA
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   6  18
ATOM     18  C   LIG    1       -0.618   1.002   0.495  0.00  0.00    +0.249 A 
ATOM     19  O   LIG    1       -1.855   1.556   0.689  0.00  0.00    -0.411 OA
ATOM     20  C   LIG    1       -2.688   0.511   0.390  0.00  0.00    +0.278 A 
ATOM     21  N   LIG    1       -2.025  -0.575   0.046  0.00  0.00    -0.101 NA
ATOM     22  N   LIG    1       -0.684  -0.258   0.114  0.00  0.00    -0.106 NA
BRANCH  20  23
ATOM     23  S   LIG    1       -4.416   0.642   0.468  0.00  0.00    -0.061 S 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.885  -1.042  -0.020  0.00  0.00    +0.114 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -6.386  -1.209  -0.034  0.00  0.00    -0.036 A 
ATOM     26  C   LIG    1       -7.127  -0.907  -1.188  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -8.521  -1.047  -1.195  0.00  0.00    +0.052 A 
ATOM     28  C   LIG    1       -9.181  -1.486  -0.044  0.00  0.00    +0.019 A 
ATOM     29  C   LIG    1       -8.454  -1.781   1.109  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -7.065  -1.641   1.115  0.00  0.00    +0.004 A 
BRANCH  27  31
ATOM     31  C   LIG    1       -9.268  -0.738  -2.379  0.00  0.00    +0.099 C 
ATOM     32  N   LIG    1       -9.871  -0.490  -3.340  0.00  0.00    -0.191 NA
ENDBRANCH  27  31
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   6  18
TORSDOF 7