REMARK  Name = BDB048493
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.384  -2.576   1.665  0.00  0.00    -0.273 OA
ATOM      2  C   LIG    1       -1.078  -1.801   1.002  0.00  0.00    +0.247 C 
ATOM      3  N   LIG    1       -0.574  -1.111  -0.084  0.00  0.00    -0.234 N 
ATOM      4  H   LIG    1       -1.088  -0.292  -0.422  0.00  0.00    +0.173 HD
ENDROOT
BRANCH   3   5
ATOM      5  N   LIG    1        0.823  -1.099  -0.256  0.00  0.00    -0.246 N 
ATOM      6  H   LIG    1        1.306  -1.798   0.309  0.00  0.00    +0.172 HD
BRANCH   5   7
ATOM      7  C   LIG    1        1.485   0.094  -0.512  0.00  0.00    +0.147 C 
ATOM      8  S   LIG    1        0.715   1.533  -0.887  0.00  0.00    -0.017 S 
BRANCH   7   9
ATOM      9  N   LIG    1        2.852  -0.076  -0.430  0.00  0.00    -0.321 N 
ATOM     10  H   LIG    1        3.186  -1.030  -0.465  0.00  0.00    +0.148 HD
BRANCH   9  11
ATOM     11  C   LIG    1        3.849   0.941  -0.722  0.00  0.00    +0.138 C 
BRANCH  11  12
ATOM     12  C   LIG    1        5.231   0.422  -0.429  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1        5.713   0.398   0.888  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        6.984  -0.109   1.167  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        7.781  -0.600   0.135  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        7.308  -0.590  -1.176  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        6.038  -0.084  -1.458  0.00  0.00    +0.005 A 
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   7   9
ENDBRANCH   5   7
ENDBRANCH   3   5
BRANCH   2  18
ATOM     18  C   LIG    1       -2.558  -1.560   1.313  0.00  0.00    +0.208 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -3.145  -0.437   0.535  0.00  0.00    -0.289 N 
ATOM     20  C   LIG    1       -3.879  -0.781  -0.634  0.00  0.00    +0.048 A 
ATOM     21  C   LIG    1       -4.862   0.075  -1.168  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1       -5.566  -0.273  -2.337  0.00  0.00    +0.017 A 
ATOM     23  C   LIG    1       -5.299  -1.463  -3.005  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -4.323  -2.313  -2.511  0.00  0.00    +0.002 A 
ATOM     25  S   LIG    1       -5.327   1.617  -0.414  0.00  0.00    -0.086 S 
ATOM     26  C   LIG    1       -4.036   1.856   0.785  0.00  0.00    +0.034 A 
ATOM     27  C   LIG    1       -3.987   3.126   1.390  0.00  0.00    +0.017 A 
ATOM     28  C   LIG    1       -3.033   3.423   2.357  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -2.119   2.450   2.727  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -2.165   1.184   2.133  0.00  0.00    +0.024 A 
ATOM     31  C   LIG    1       -3.624  -1.974  -1.348  0.00  0.00    +0.024 A 
ATOM     32  C   LIG    1       -3.126   0.845   1.154  0.00  0.00    +0.048 A 
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 7