REMARK  Name = BDB048300
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.221  -0.497  -1.801  0.00  0.00    +0.174 C 
ATOM      2  C   LIG    1       -0.462  -0.490  -3.125  0.00  0.00    +0.052 C 
ENDROOT
BRANCH   1   3
ATOM      3  O   LIG    1       -2.621  -0.623  -2.130  0.00  0.00    -0.488 OA
BRANCH   3   7
ATOM      4  C   LIG    1       -5.023   2.171  -0.158  0.00  0.00    -0.047 A 
ATOM      5  C   LIG    1       -5.143   0.803   0.133  0.00  0.00    +0.017 A 
ATOM      6  C   LIG    1       -4.356  -0.159  -0.528  0.00  0.00    +0.049 A 
ATOM      7  C   LIG    1       -3.412   0.282  -1.468  0.00  0.00    +0.131 A 
ATOM      8  C   LIG    1       -3.308   1.640  -1.789  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -4.103   2.579  -1.132  0.00  0.00    +0.007 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -4.549  -1.572  -0.176  0.00  0.00    +0.112 A 
ATOM     11  S   LIG    1       -4.854  -2.756  -1.395  0.00  0.00    -0.076 S 
ATOM     12  C   LIG    1       -4.987  -3.961  -0.186  0.00  0.00    +0.067 A 
ATOM     13  C   LIG    1       -4.818  -3.391   1.056  0.00  0.00    +0.119 A 
ATOM     14  N   LIG    1       -4.588  -2.030   1.061  0.00  0.00    -0.247 NA
ENDBRANCH   6  10
BRANCH   4  16
ATOM     15  C   LIG    1       -7.117   3.545  -0.294  0.00  0.00    +0.009 C 
ATOM     16  C   LIG    1       -5.897   3.181   0.541  0.00  0.00    +0.032 C 
ENDBRANCH   4  16
ENDBRANCH   3   7
ENDBRANCH   1   3
BRANCH   1  17
ATOM     17  C   LIG    1       -0.845  -1.690  -0.906  0.00  0.00    +0.085 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.642  -1.793  -0.581  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  O   LIG    1        1.085  -0.554  -0.032  0.00  0.00    -0.492 OA
BRANCH  19  20
ATOM     20  C   LIG    1        2.432  -0.394   0.140  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1        3.402  -1.387   0.006  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1        4.768  -1.102   0.203  0.00  0.00    -0.044 A 
ATOM     23  C   LIG    1        5.769  -2.209   0.009  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1        5.162   0.212   0.533  0.00  0.00    -0.044 A 
ATOM     25  C   LIG    1        4.174   1.199   0.676  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1        2.826   0.896   0.485  0.00  0.00    +0.046 A 
BRANCH  24  27
ATOM     27  C   LIG    1        6.609   0.600   0.757  0.00  0.00    +0.046 C 
BRANCH  27  28
ATOM     28  C   LIG    1        7.078   0.361   2.191  0.00  0.00    +0.125 C 
BRANCH  28  29
ATOM     29  C   LIG    1        6.564   1.402   3.147  0.00  0.00    +0.305 C 
ATOM     30  O   LIG    1        6.273   2.559   2.896  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1        6.499   0.941   4.412  0.00  0.00    -0.481 OA
ATOM     32  H   LIG    1        6.156   1.702   4.926  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 12