REMARK  Name = BDB048415
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.188   2.560   1.178  0.00  0.00    +0.000 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.129   2.076   1.795  0.00  0.00    +0.000 C 
BRANCH   2   3
ATOM      3  C   LIG    1        1.122   1.470   0.795  0.00  0.00    +0.000 C 
BRANCH   3   4
ATOM      4  C   LIG    1        0.625   0.196   0.111  0.00  0.00    -0.000 C 
BRANCH   4   5
ATOM      5  C   LIG    1        1.671  -0.456  -0.803  0.00  0.00    -0.000 C 
BRANCH   5   6
ATOM      6  C   LIG    1        2.464  -1.595  -0.153  0.00  0.00    -0.000 C 
BRANCH   6   7
ATOM      7  C   LIG    1        3.438  -1.198   0.958  0.00  0.00    -0.000 C 
BRANCH   7   8
ATOM      8  C   LIG    1        4.539  -0.212   0.554  0.00  0.00    -0.000 C 
BRANCH   8   9
ATOM      9  C   LIG    1        5.461  -0.746  -0.545  0.00  0.00    -0.000 C 
BRANCH   9  10
ATOM     10  C   LIG    1        6.609   0.230  -0.824  0.00  0.00    -0.000 C 
BRANCH  10  11
ATOM     11  C   LIG    1        7.556  -0.256  -1.928  0.00  0.00    -0.000 C 
BRANCH  11  13
ATOM     12  C   LIG    1        8.542  -2.273  -0.688  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1        8.812  -0.972  -1.423  0.00  0.00    -0.003 C 
ENDBRANCH  11  13
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   5   6
ENDBRANCH   4   5
ENDBRANCH   3   4
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  14
ATOM     14  C   LIG    1       -2.325   1.544   1.325  0.00  0.00    +0.001 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -3.611   2.055   0.666  0.00  0.00    +0.017 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -4.795   1.107   0.852  0.00  0.00    +0.107 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -4.636  -0.134   0.072  0.00  0.00    -0.180 NA
ATOM     18  H   LIG    1       -3.690  -0.509   0.054  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  S   LIG    1       -5.308  -0.197  -1.452  0.00  0.00    +0.095 S 
ATOM     20  O   LIG    1       -5.001  -1.490  -2.006  0.00  0.00    -0.141 OA
ATOM     21  O   LIG    1       -5.004   1.025  -2.151  0.00  0.00    -0.141 OA
BRANCH  19  22
ATOM     22  N   LIG    1       -6.935  -0.159  -1.066  0.00  0.00    -0.180 NA
ATOM     23  H   LIG    1       -7.456   0.078  -1.911  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -7.473  -1.354  -0.388  0.00  0.00    +0.106 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -8.885  -1.040   0.102  0.00  0.00    +0.013 C 
ATOM     26  C   LIG    1       -9.506  -2.231   0.814  0.00  0.00    +0.005 C 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 19