REMARK  Name = BDB048307
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.741  -1.116  -0.328  0.00  0.00    +0.174 C 
ATOM      2  C   LIG    1       -1.704  -2.089  -1.505  0.00  0.00    +0.052 C 
ENDROOT
BRANCH   1   3
ATOM      3  O   LIG    1       -2.962  -1.363   0.399  0.00  0.00    -0.488 OA
BRANCH   3   7
ATOM      4  C   LIG    1       -5.584   1.886   0.241  0.00  0.00    -0.047 A 
ATOM      5  C   LIG    1       -5.905   0.687  -0.415  0.00  0.00    +0.017 A 
ATOM      6  C   LIG    1       -5.053  -0.430  -0.359  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1       -3.838  -0.308   0.333  0.00  0.00    +0.130 A 
ATOM      8  C   LIG    1       -3.521   0.875   1.010  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -4.386   1.969   0.957  0.00  0.00    +0.007 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -5.472  -1.651  -1.041  0.00  0.00    +0.082 A 
ATOM     11  N   LIG    1       -6.171  -1.594  -2.241  0.00  0.00    -0.247 NA
ATOM     12  C   LIG    1       -6.445  -2.813  -2.649  0.00  0.00    +0.156 A 
ATOM     13  S   LIG    1       -5.920  -4.089  -1.633  0.00  0.00    -0.083 S 
ATOM     14  C   LIG    1       -5.270  -2.928  -0.550  0.00  0.00    +0.075 A 
ENDBRANCH   6  10
BRANCH   4  16
ATOM     15  C   LIG    1       -6.204   3.943  -1.053  0.00  0.00    +0.009 C 
ATOM     16  C   LIG    1       -6.511   3.072   0.156  0.00  0.00    +0.032 C 
ENDBRANCH   4  16
ENDBRANCH   3   7
ENDBRANCH   1   3
BRANCH   1  17
ATOM     17  C   LIG    1       -0.581  -1.341   0.647  0.00  0.00    +0.085 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.785  -1.016   0.053  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  O   LIG    1        1.755  -1.158   1.093  0.00  0.00    -0.492 OA
BRANCH  19  20
ATOM     20  C   LIG    1        3.059  -0.904   0.767  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1        3.966  -1.074   1.816  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1        5.343  -0.849   1.644  0.00  0.00    -0.044 A 
ATOM     23  C   LIG    1        6.264  -1.075   2.812  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1        5.818  -0.449   0.380  0.00  0.00    -0.044 A 
ATOM     25  C   LIG    1        4.898  -0.282  -0.669  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1        3.531  -0.507  -0.479  0.00  0.00    +0.046 A 
BRANCH  24  27
ATOM     27  C   LIG    1        7.283  -0.171   0.110  0.00  0.00    +0.046 C 
BRANCH  27  28
ATOM     28  C   LIG    1        7.693   1.261   0.451  0.00  0.00    +0.125 C 
BRANCH  28  29
ATOM     29  C   LIG    1        7.235   2.253  -0.582  0.00  0.00    +0.305 C 
ATOM     30  O   LIG    1        7.026   2.049  -1.765  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1        7.121   3.497  -0.074  0.00  0.00    -0.481 OA
ATOM     32  H   LIG    1        6.836   4.042  -0.837  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