REMARK  Name = BDB001868
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.395  -0.438  -0.626  0.00  0.00    -0.312 N 
ATOM      2  C   LIG    1        0.633   0.662  -0.321  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1       -0.691   0.252  -0.269  0.00  0.00    +0.122 A 
ATOM      4  N   LIG    1       -1.696   1.127   0.006  0.00  0.00    -0.241 NA
ATOM      5  C   LIG    1       -1.286   2.389   0.221  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        0.080   2.779   0.165  0.00  0.00    +0.092 A 
ATOM      7  C   LIG    1        0.407   4.108   0.403  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1       -0.570   5.062   0.693  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -1.903   4.681   0.746  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -2.248   3.349   0.510  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1       -0.739  -1.142  -0.541  0.00  0.00    +0.103 A 
ATOM     12  N   LIG    1        1.076   1.918  -0.108  0.00  0.00    -0.226 NA
ATOM     13  C   LIG    1        0.576  -1.540  -0.760  0.00  0.00    +0.112 A 
ENDROOT
BRANCH  11  14
ATOM     14  C   LIG    1       -1.909  -2.010  -0.580  0.00  0.00    +0.250 C 
ATOM     15  N   LIG    1       -3.102  -1.379  -0.320  0.00  0.00    -0.307 N 
ATOM     16  H   LIG    1       -3.097  -0.365  -0.234  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1       -1.840  -3.213  -0.822  0.00  0.00    -0.270 OA
BRANCH  15  18
ATOM     18  C   LIG    1       -4.360  -2.061  -0.467  0.00  0.00    +0.147 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -5.430  -1.213   0.141  0.00  0.00    +0.007 A 
ATOM     20  S   LIG    1       -6.338  -0.133  -0.833  0.00  0.00    -0.100 S 
ATOM     21  C   LIG    1       -7.254   0.405   0.507  0.00  0.00    +0.045 A 
ATOM     22  C   LIG    1       -6.878  -0.218   1.675  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1       -5.823  -1.152   1.464  0.00  0.00    +0.013 A 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH  11  14
BRANCH  13  24
ATOM     24  N   LIG    1        1.063  -2.763  -1.069  0.00  0.00    -0.344 N 
ATOM     25  H   LIG    1        2.018  -3.040  -0.865  0.00  0.00    +0.144 HD
ATOM     26  H   LIG    1        0.411  -3.553  -1.032  0.00  0.00    +0.144 HD
ENDBRANCH  13  24
BRANCH   1  27
ATOM     27  C   LIG    1        2.837  -0.397  -0.812  0.00  0.00    +0.125 C 
BRANCH  27  28
ATOM     28  C   LIG    1        3.587  -0.699   0.485  0.00  0.00    +0.022 C 
BRANCH  28  29
ATOM     29  C   LIG    1        5.105  -0.557   0.352  0.00  0.00    +0.001 C 
BRANCH  29  31
ATOM     30  C   LIG    1        7.246  -1.482  -0.601  0.00  0.00    +0.004 C 
ATOM     31  C   LIG    1        5.729  -1.590  -0.587  0.00  0.00    -0.003 C 
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 8