REMARK  Name = BDB022110
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.079   1.846  -0.910  0.00  0.00    +0.080 A 
ATOM      2  C   LIG    1        0.652   0.997   0.029  0.00  0.00    +0.086 A 
ATOM      3  N   LIG    1        1.877   0.590  -0.502  0.00  0.00    -0.199 N 
ATOM      4  N   LIG    1        2.126   1.230  -1.690  0.00  0.00    -0.171 NA
ATOM      5  C   LIG    1        1.057   1.991  -1.903  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   1  10
ATOM      6  N   LIG    1       -4.641   0.061  -0.303  0.00  0.00    -0.299 NA
ATOM      7  C   LIG    1       -4.704   1.505   0.011  0.00  0.00    +0.103 C 
ATOM      8  C   LIG    1       -3.635   2.391  -0.667  0.00  0.00    +0.123 C 
ATOM      9  N   LIG    1       -2.338   1.736  -0.786  0.00  0.00    -0.295 N 
ATOM     10  C   LIG    1       -1.196   2.532  -0.829  0.00  0.00    +0.250 C 
ATOM     11  O   LIG    1       -1.240   3.758  -0.804  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1       -2.362   0.337  -1.233  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1       -3.786  -0.205  -1.467  0.00  0.00    +0.103 C 
BRANCH   6  14
ATOM     14  C   LIG    1       -5.966  -0.554  -0.443  0.00  0.00    +0.084 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -6.124  -1.299   1.993  0.00  0.00    +0.005 C 
ATOM     16  C   LIG    1       -6.792  -0.545   0.851  0.00  0.00    +0.012 C 
ENDBRANCH  14  16
ENDBRANCH   6  14
ENDBRANCH   1  10
BRANCH   3  17
ATOM     17  C   LIG    1        2.823  -0.373   0.018  0.00  0.00    +0.252 A 
ATOM     18  N   LIG    1        3.980  -0.544  -0.654  0.00  0.00    -0.210 NA
ATOM     19  C   LIG    1        4.860  -1.450  -0.177  0.00  0.00    +0.086 A 
ATOM     20  C   LIG    1        4.643  -2.173   0.985  0.00  0.00    -0.006 A 
ATOM     21  C   LIG    1        5.606  -3.145   1.582  0.00  0.00    +0.047 C 
ATOM     22  C   LIG    1        3.417  -1.949   1.577  0.00  0.00    +0.120 A 
ATOM     23  N   LIG    1        2.499  -1.080   1.117  0.00  0.00    -0.219 NA
BRANCH  19  24
ATOM     24  C   LIG    1        6.069  -1.542  -1.001  0.00  0.00    +0.038 A 
ATOM     25  S   LIG    1        6.560  -3.038  -1.686  0.00  0.00    -0.095 S 
ATOM     26  C   LIG    1        7.909  -2.323  -2.456  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1        7.974  -0.967  -2.229  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1        6.905  -0.516  -1.403  0.00  0.00    +0.017 A 
ENDBRANCH  19  24
ENDBRANCH   3  17
BRANCH   2  29
ATOM     29  C   LIG    1        0.151   0.617   1.376  0.00  0.00    +0.215 C 
BRANCH  29  30
ATOM     30  O   LIG    1        0.969   1.262   2.350  0.00  0.00    -0.377 OA
ATOM     31  C   LIG    1        0.551   2.590   2.642  0.00  0.00    +0.194 C 
ENDBRANCH  29  30
ENDBRANCH   2  29
TORSDOF 7