REMARK  Name = BDB064045
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        6.562  -0.391  -1.167  0.00  0.00    -0.272 OA
ATOM      2  C   LIG    1        5.350  -0.425  -0.966  0.00  0.00    +0.255 C 
ATOM      3  N   LIG    1        4.845  -0.632   0.286  0.00  0.00    -0.280 N 
ATOM      4  H   LIG    1        5.516  -0.752   1.034  0.00  0.00    +0.155 HD
ATOM      5  C   LIG    1        3.475  -0.696   0.524  0.00  0.00    +0.076 A 
ATOM      6  C   LIG    1        2.570  -0.603  -0.538  0.00  0.00    +0.143 A 
ATOM      7  C   LIG    1        1.201  -0.692  -0.295  0.00  0.00    +0.060 A 
ATOM      8  C   LIG    1        0.745  -0.844   1.016  0.00  0.00    +0.040 A 
ATOM      9  C   LIG    1        1.646  -0.956   2.080  0.00  0.00    +0.015 A 
ATOM     10  O   LIG    1        2.939  -0.461  -1.845  0.00  0.00    -0.481 OA
ATOM     11  C   LIG    1        3.017  -0.878   1.832  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        4.315  -0.192  -2.065  0.00  0.00    +0.325 C 
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -0.700  -0.961   1.289  0.00  0.00    +0.247 C 
ATOM     14  N   LIG    1       -1.489   0.190   1.174  0.00  0.00    -0.290 N 
ATOM     15  O   LIG    1       -1.120  -2.067   1.619  0.00  0.00    -0.270 OA
BRANCH  14  16
ATOM     16  C   LIG    1       -0.923   1.516   1.042  0.00  0.00    +0.077 C 
ATOM     17  C   LIG    1       -1.667   2.704   0.488  0.00  0.00    +0.024 C 
ATOM     18  C   LIG    1       -0.574   2.075  -0.314  0.00  0.00    +0.024 C 
ENDBRANCH  14  16
BRANCH  14  19
ATOM     19  C   LIG    1       -2.907   0.070   1.520  0.00  0.00    +0.150 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.729  -0.214   0.293  0.00  0.00    +0.007 A 
ATOM     21  S   LIG    1       -5.118   0.736  -0.049  0.00  0.00    -0.100 S 
ATOM     22  C   LIG    1       -5.464  -0.156  -1.465  0.00  0.00    +0.045 A 
ATOM     23  C   LIG    1       -4.560  -1.173  -1.669  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1       -3.566  -1.213  -0.650  0.00  0.00    +0.013 A 
ENDBRANCH  19  20
ENDBRANCH  14  19
ENDBRANCH   8  13
TORSDOF 4