REMARK  Name = BDB014788
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -6.104  -2.446   0.344  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.602  -2.429   0.474  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.962  -1.203   0.339  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.504  -1.217   0.566  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.876   0.032   0.062  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.511   0.413  -0.053  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -0.415   1.653  -0.546  0.00  0.00    -0.156 NA
ATOM      8  N   LIG    1       -1.680   2.050  -0.766  0.00  0.00    -0.269 N 
ATOM      9  C   LIG    1       -1.915   3.356  -1.330  0.00  0.00    +0.172 C 
ATOM     10  C   LIG    1       -2.593   1.118  -0.393  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -4.070   1.187  -0.464  0.00  0.00    +0.074 C 
ATOM     12  C   LIG    1       -4.659   0.098   0.458  0.00  0.00    +0.114 C 
ATOM     13  O   LIG    1       -3.987  -3.475   0.683  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  14
ATOM     14  N   LIG    1        0.498  -0.418   0.310  0.00  0.00    -0.298 N 
ATOM     15  H   LIG    1        0.241  -1.345   0.627  0.00  0.00    +0.154 HD
BRANCH  14  16
ATOM     16  C   LIG    1        1.901  -0.255   0.298  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1        2.706  -1.324   0.722  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        4.104  -1.225   0.738  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1        4.745  -0.051   0.327  0.00  0.00    -0.010 A 
ATOM     20  C   LIG    1        3.946   1.020  -0.091  0.00  0.00    +0.011 A 
ATOM     21  C   LIG    1        2.547   0.916  -0.104  0.00  0.00    +0.024 A 
BRANCH  19  22
ATOM     22  C   LIG    1        6.207   0.040   0.360  0.00  0.00    +0.039 A 
ATOM     23  S   LIG    1        7.097   0.794  -0.907  0.00  0.00    -0.075 S 
ATOM     24  C   LIG    1        8.557   0.424  -0.093  0.00  0.00    +0.156 A 
ATOM     25  N   LIG    1        8.442  -0.219   1.047  0.00  0.00    -0.255 NA
ATOM     26  C   LIG    1        7.101  -0.439   1.303  0.00  0.00    +0.127 A 
ENDBRANCH  19  22
ENDBRANCH  14  16
ENDBRANCH   6  14
TORSDOF 3