REMARK  Name = BDB048356
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.045  -1.252  -0.005  0.00  0.00    +0.082 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.789  -2.582  -0.092  0.00  0.00    +0.234 C 
BRANCH   2   3
ATOM      3  O   LIG    1        1.623  -2.657  -1.250  0.00  0.00    -0.476 OA
BRANCH   3   7
ATOM      4  C   LIG    1        5.414  -1.020  -0.910  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1        4.487  -1.018   0.134  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        3.236  -1.544   0.071  0.00  0.00    -0.221 NA
ATOM      7  C   LIG    1        2.879  -2.108  -1.097  0.00  0.00    +0.215 A 
ATOM      8  C   LIG    1        3.713  -2.170  -2.200  0.00  0.00    +0.068 A 
ATOM      9  C   LIG    1        4.994  -1.620  -2.103  0.00  0.00    +0.017 A 
BRANCH   4  12
ATOM     10  C   LIG    1        8.411   0.621   0.354  0.00  0.00    +0.049 A 
ATOM     11  N   LIG    1        7.122   0.121   0.446  0.00  0.00    -0.244 NA
ATOM     12  C   LIG    1        6.737  -0.412  -0.699  0.00  0.00    +0.110 A 
ATOM     13  S   LIG    1        7.925  -0.335  -1.947  0.00  0.00    -0.075 S 
ATOM     14  C   LIG    1        9.002   0.457  -0.882  0.00  0.00    +0.070 A 
BRANCH  10  16
ATOM     15  C   LIG    1        8.623   2.732   1.677  0.00  0.00    +0.010 C 
ATOM     16  C   LIG    1        9.016   1.268   1.556  0.00  0.00    +0.052 C 
ENDBRANCH  10  16
ENDBRANCH   4  12
ENDBRANCH   3   7
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1       -0.764  -0.964  -1.267  0.00  0.00    +0.232 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -1.504   0.250  -1.123  0.00  0.00    -0.492 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -2.776   0.193  -0.623  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1       -3.470   1.405  -0.682  0.00  0.00    +0.049 A 
ATOM     21  C   LIG    1       -4.769   1.463  -0.204  0.00  0.00    -0.040 A 
ATOM     22  C   LIG    1       -5.666   2.658  -0.140  0.00  0.00    +0.036 C 
ATOM     23  C   LIG    1       -7.032   1.987   0.055  0.00  0.00    +0.013 C 
ATOM     24  C   LIG    1       -6.771   0.678   0.838  0.00  0.00    +0.030 C 
ATOM     25  C   LIG    1       -5.388   0.336   0.346  0.00  0.00    -0.040 A 
ATOM     26  C   LIG    1       -4.704  -0.865   0.432  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -3.394  -0.934  -0.061  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1       -7.823  -0.390   0.570  0.00  0.00    +0.128 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -9.154   0.027   1.121  0.00  0.00    +0.305 C 
ATOM     30  O   LIG    1      -10.069   0.535   0.495  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -9.264  -0.194   2.445  0.00  0.00    -0.481 OA
ATOM     32  H   LIG    1      -10.165   0.123   2.667  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  24  28
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 11