REMARK  Name = BDB014821
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.365  -0.163  -0.577  0.00  0.00    +0.032 A 
ATOM      2  C   LIG    1        0.328  -1.055   0.244  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1        1.722  -1.190   0.160  0.00  0.00    +0.010 A 
ATOM      4  C   LIG    1        2.470  -0.440  -0.755  0.00  0.00    -0.018 A 
ATOM      5  C   LIG    1        1.779   0.452  -1.585  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        0.387   0.587  -1.497  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.930  -0.581  -0.840  0.00  0.00    -0.016 A 
ATOM      8  C   LIG    1        4.743  -0.354   0.283  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        6.131  -0.490   0.198  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1        6.732  -0.831  -1.011  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1        5.941  -1.060  -2.135  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        4.552  -0.937  -2.049  0.00  0.00    +0.008 A 
BRANCH   9  13
ATOM     13  N   LIG    1        6.938  -0.209   1.341  0.00  0.00    -0.221 N 
ATOM     14  H   LIG    1        6.498  -0.426   2.237  0.00  0.00    +0.173 HD
BRANCH  13  15
ATOM     15  S   LIG    1        7.615   1.342   1.442  0.00  0.00    +0.040 S 
ATOM     16  O   LIG    1        7.562   1.692   2.846  0.00  0.00    -0.155 OA
ATOM     17  O   LIG    1        7.063   2.208   0.425  0.00  0.00    -0.155 OA
ATOM     18  C   LIG    1        9.313   0.995   1.043  0.00  0.00    +0.218 C 
ENDBRANCH  13  15
ENDBRANCH   9  13
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  N   LIG    1       -1.767   0.015  -0.546  0.00  0.00    -0.298 N 
ATOM     20  H   LIG    1       -2.051   0.749  -1.180  0.00  0.00    +0.154 HD
BRANCH  19  26
ATOM     21  C   LIG    1       -6.275   3.204  -1.340  0.00  0.00    +0.109 C 
ATOM     22  C   LIG    1       -6.996   1.989  -0.809  0.00  0.00    +0.213 C 
ATOM     23  N   LIG    1       -6.214   0.911  -0.410  0.00  0.00    -0.297 N 
ATOM     24  C   LIG    1       -4.781   0.807  -0.757  0.00  0.00    +0.148 C 
ATOM     25  C   LIG    1       -4.105  -0.220   0.078  0.00  0.00    +0.032 A 
ATOM     26  C   LIG    1       -2.736  -0.591   0.185  0.00  0.00    +0.150 A 
ATOM     27  N   LIG    1       -2.593  -1.587   1.069  0.00  0.00    -0.156 NA
ATOM     28  N   LIG    1       -3.830  -1.838   1.529  0.00  0.00    -0.269 N 
ATOM     29  C   LIG    1       -4.013  -2.863   2.527  0.00  0.00    +0.172 C 
ATOM     30  C   LIG    1       -4.774  -1.057   0.945  0.00  0.00    +0.047 A 
ATOM     31  C   LIG    1       -6.237  -1.048   1.173  0.00  0.00    +0.074 C 
ATOM     32  C   LIG    1       -6.911  -0.332  -0.015  0.00  0.00    +0.114 C 
ATOM     33  O   LIG    1       -8.225   1.989  -0.733  0.00  0.00    -0.276 OA
ENDBRANCH  19  26
ENDBRANCH   1  19
TORSDOF 5