REMARK  Name = BDB007720
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.792  -3.113  -1.396  0.00  0.00    +0.137 C 
ENDROOT
BRANCH   1   4
ATOM      2  O   LIG    1        0.910  -1.219  -3.427  0.00  0.00    -0.270 OA
ATOM      3  C   LIG    1        1.136  -0.839  -2.279  0.00  0.00    +0.245 C 
ATOM      4  N   LIG    1        1.163  -1.719  -1.222  0.00  0.00    -0.309 N 
ATOM      5  H   LIG    1        0.879  -1.322  -0.328  0.00  0.00    +0.149 HD
BRANCH   3   6
ATOM      6  C   LIG    1        1.284   0.577  -1.934  0.00  0.00    +0.051 A 
ATOM      7  C   LIG    1        1.931   1.175  -0.776  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        1.801   2.570  -0.783  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.314   3.375   0.255  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        2.990   2.771   1.315  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        3.165   1.398   1.340  0.00  0.00    +0.001 A 
ATOM     12  S   LIG    1        0.975   3.127  -2.184  0.00  0.00    -0.096 S 
ATOM     13  C   LIG    1        2.652   0.604   0.309  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1        0.774   1.549  -2.776  0.00  0.00    +0.059 A 
ENDBRANCH   3   6
ENDBRANCH   1   4
BRANCH   1  15
ATOM     15  C   LIG    1       -0.735  -3.343  -1.365  0.00  0.00    +0.145 C 
BRANCH  15  16
ATOM     16  O   LIG    1       -1.426  -2.595  -2.370  0.00  0.00    -0.389 OA
ATOM     17  H   LIG    1       -0.768  -2.311  -3.038  0.00  0.00    +0.210 HD
ENDBRANCH  15  16
BRANCH  15  18
ATOM     18  C   LIG    1       -1.354  -3.091   0.037  0.00  0.00    +0.117 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -1.035  -1.777   0.643  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1       -1.866  -0.706   0.039  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1       -1.676   0.640   0.709  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1       -1.172   0.732   2.018  0.00  0.00    -0.042 A 
ATOM     23  C   LIG    1       -1.016   1.988   2.618  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -1.384   3.146   1.933  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -1.908   3.057   0.646  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -0.742  -0.514   2.746  0.00  0.00    +0.051 C 
ATOM     27  C   LIG    1       -2.057   1.811   0.038  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -1.282  -1.796   2.096  0.00  0.00    +0.089 C 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 6