REMARK  Name = BDB063392
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.802  -1.408  -1.181  0.00  0.00    +0.291 C 
ATOM      2  N   LIG    1        3.542  -0.869  -0.953  0.00  0.00    -0.291 N 
ATOM      3  C   LIG    1        2.404  -1.390  -1.705  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1        1.142  -1.389  -0.850  0.00  0.00    +0.029 C 
ATOM      5  C   LIG    1        0.803   0.041  -0.388  0.00  0.00    +0.005 C 
ATOM      6  C   LIG    1       -0.391   0.699  -1.122  0.00  0.00    +0.113 C 
ATOM      7  N   LIG    1       -1.241   0.145  -0.097  0.00  0.00    -0.325 N 
ATOM      8  C   LIG    1       -0.144   0.078   0.838  0.00  0.00    +0.113 C 
ATOM      9  C   LIG    1        2.025   0.965  -0.302  0.00  0.00    +0.029 C 
ATOM     10  C   LIG    1        3.279   0.170   0.043  0.00  0.00    +0.109 C 
ATOM     11  O   LIG    1        5.037  -2.256  -2.035  0.00  0.00    -0.260 OA
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -2.518   0.616   0.209  0.00  0.00    +0.100 C 
ATOM     13  C   LIG    1       -3.588  -0.425  -0.006  0.00  0.00    +0.211 C 
ATOM     14  O   LIG    1       -3.326  -1.555  -0.410  0.00  0.00    -0.285 OA
ATOM     15  C   LIG    1       -4.986  -0.088   0.271  0.00  0.00    +0.053 A 
ATOM     16  C   LIG    1       -5.340   1.163   0.725  0.00  0.00    +0.123 A 
ATOM     17  N   LIG    1       -6.626   1.520   0.995  0.00  0.00    -0.251 NA
ATOM     18  C   LIG    1       -7.584   0.588   0.803  0.00  0.00    +0.111 A 
ATOM     19  C   LIG    1       -7.321  -0.692   0.351  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -4.311   2.200   0.942  0.00  0.00    +0.225 C 
ATOM     21  O   LIG    1       -4.616   3.318   1.346  0.00  0.00    -0.284 OA
ATOM     22  C   LIG    1       -5.999  -1.035   0.081  0.00  0.00    +0.015 A 
ATOM     23  C   LIG    1       -2.896   1.831   0.651  0.00  0.00    +0.114 C 
ATOM     24 CL   LIG    1       -1.751   3.112   0.930  0.00  0.00    -0.077 Cl
ENDBRANCH   7  12
BRANCH   1  27
ATOM     25  C   LIG    1        7.956  -0.142   1.137  0.00  0.00    +0.106 C 
ATOM     26  C   LIG    1        6.827  -0.582   0.320  0.00  0.00    -0.096 C 
ATOM     27  C   LIG    1        5.905  -0.951  -0.359  0.00  0.00    -0.008 C 
ENDBRANCH   1  27
TORSDOF 2