REMARK  Name = BDB016017
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.509   0.132   0.886  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1        0.751   0.397   0.489  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1        1.467   1.310   1.177  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1        0.919   1.988   2.268  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.380   1.640   2.593  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1       -1.113   0.725   1.929  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -3.401  -1.960  -0.468  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1       -2.663  -1.022   0.274  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -1.270  -0.870   0.115  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1       -0.633  -1.711  -0.817  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1       -1.350  -2.644  -1.568  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -2.727  -2.765  -1.394  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1       -8.030  -3.754  -0.255  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1       -6.878  -2.889  -0.185  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1       -7.029  -1.620   0.232  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1       -5.788  -1.127   0.178  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1       -4.838  -2.073  -0.276  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -5.589  -3.210  -0.498  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1        1.615   2.986   3.054  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1        2.290   4.074   2.543  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1        2.763   4.771   3.616  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1        3.532   5.991   3.591  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1        2.439   4.214   4.798  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1        1.730   3.136   4.455  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1        2.784   1.591   0.750  0.00  0.00    -0.328 N 
ATOM     26  H   LIG    1        3.396   1.559   1.564  0.00  0.00    +0.147 HD
BRANCH  25  27
ATOM     27  C   LIG    1        3.291   0.778  -0.355  0.00  0.00    +0.104 C 
BRANCH  27  28
ATOM     28  C   LIG    1        2.852   1.361  -1.701  0.00  0.00    +0.035 C 
BRANCH  28  29
ATOM     29  C   LIG    1        3.236   0.456  -2.868  0.00  0.00    +0.107 C 
BRANCH  29  30
ATOM     30  N   LIG    1        2.369  -0.731  -2.872  0.00  0.00    -0.195 NA
ATOM     31  H   LIG    1        1.365  -0.546  -2.942  0.00  0.00    +0.148 HD
BRANCH  30  32
ATOM     32  S   LIG    1        2.807  -2.037  -3.831  0.00  0.00    +0.027 S 
ATOM     33  O   LIG    1        1.603  -2.817  -4.007  0.00  0.00    -0.158 OA
ATOM     34  O   LIG    1        3.568  -1.539  -4.954  0.00  0.00    -0.158 OA
ATOM     35  C   LIG    1        3.890  -2.931  -2.738  0.00  0.00    +0.214 C 
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 9