REMARK  Name = BDB000222
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.172  -1.806  -1.171  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1       -0.454  -0.628  -0.721  0.00  0.00    +0.163 A 
ATOM      3  C   LIG    1        0.303   0.344  -0.055  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1        1.679   0.167   0.176  0.00  0.00    -0.039 A 
ATOM      5  C   LIG    1        2.283  -1.012  -0.276  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1        1.538  -1.988  -0.943  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.459   1.252   0.905  0.00  0.00    +0.045 C 
ATOM      8  C   LIG    1        3.089   0.758   2.218  0.00  0.00    +0.105 C 
ATOM      9  C   LIG    1        4.534   0.520   1.858  0.00  0.00    +0.214 C 
ATOM     10  O   LIG    1        5.370  -0.031   2.553  0.00  0.00    -0.276 OA
ATOM     11  N   LIG    1        4.778   1.070   0.620  0.00  0.00    -0.315 N 
ATOM     12  H   LIG    1        5.723   1.116   0.259  0.00  0.00    +0.149 HD
ATOM     13  C   LIG    1        3.650   1.789   0.108  0.00  0.00    +0.112 C 
ENDBRANCH   4   7
BRANCH   1  15
ATOM     14  C   LIG    1       -0.043  -3.925  -2.255  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1       -0.634  -2.711  -1.818  0.00  0.00    -0.491 OA
ENDBRANCH   1  15
BRANCH   2  16
ATOM     16  O   LIG    1       -1.796  -0.528  -0.987  0.00  0.00    -0.485 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -2.535   0.573  -0.484  0.00  0.00    +0.174 C 
ATOM     18  C   LIG    1       -3.907   0.595  -1.155  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -4.762   1.446  -0.227  0.00  0.00    +0.004 C 
ATOM     20  C   LIG    1       -4.146   1.293   1.163  0.00  0.00    +0.004 C 
ATOM     21  C   LIG    1       -2.917   0.408   0.985  0.00  0.00    +0.044 C 
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 4