REMARK  Name = BDB003880
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.098  -0.034  -0.745  0.00  0.00    -0.309 N 
ATOM      2  C   LIG    1       -0.803  -0.494   0.307  0.00  0.00    +0.123 C 
ATOM      3  C   LIG    1       -2.203  -0.089  -0.210  0.00  0.00    +0.064 C 
ATOM      4  C   LIG    1       -3.256  -1.038   0.354  0.00  0.00    +0.227 C 
ATOM      5  O   LIG    1       -3.030  -1.870   1.227  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -4.495  -0.966  -0.231  0.00  0.00    -0.256 N 
ATOM      7  H   LIG    1       -4.971  -1.855  -0.110  0.00  0.00    +0.157 HD
ATOM      8  C   LIG    1       -5.418  -0.055   0.200  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -6.576  -0.428   0.390  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -4.987   1.348   0.550  0.00  0.00    +0.096 C 
ATOM     11  C   LIG    1       -3.855   1.910  -0.294  0.00  0.00    +0.010 C 
ATOM     12  C   LIG    1       -2.490   1.382   0.147  0.00  0.00    +0.018 C 
ATOM     13  C   LIG    1       -2.020  -0.315  -1.725  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1       -0.581   0.114  -2.018  0.00  0.00    +0.108 C 
ENDROOT
BRANCH   1  20
ATOM     15  C   LIG    1        6.160  -0.466  -0.066  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1        5.266  -0.108  -1.082  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1        3.885  -0.151  -0.819  0.00  0.00    +0.042 A 
ATOM     18  C   LIG    1        3.382  -0.581   0.405  0.00  0.00    +0.080 A 
ATOM     19  N   LIG    1        2.004  -0.565   0.517  0.00  0.00    -0.225 NA
ATOM     20  C   LIG    1        1.442  -0.151  -0.597  0.00  0.00    +0.162 A 
ATOM     21  C   LIG    1        4.288  -0.996   1.398  0.00  0.00    +0.031 A 
ATOM     22  S   LIG    1        2.570   0.263  -1.842  0.00  0.00    -0.052 S 
ATOM     23  C   LIG    1        5.665  -0.955   1.143  0.00  0.00    +0.025 A 
BRANCH  15  24
ATOM     24  N   LIG    1        7.532  -0.541  -0.340  0.00  0.00    -0.358 N 
ATOM     25  H   LIG    1        7.845   0.095  -1.067  0.00  0.00    +0.142 HD
ATOM     26  H   LIG    1        8.122  -0.501   0.486  0.00  0.00    +0.142 HD
ENDBRANCH  15  24
ENDBRANCH   1  20
TORSDOF 2