REMARK  Name = BDB012370
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.334   0.573   0.491  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1        1.658   0.376   0.895  0.00  0.00    -0.182 N 
ATOM      3  N   LIG    1        1.766   0.371   2.260  0.00  0.00    -0.170 NA
ATOM      4  C   LIG    1        0.521   0.534   2.697  0.00  0.00    +0.138 A 
ATOM      5  C   LIG    1       -0.404   0.663   1.655  0.00  0.00    +0.088 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1        2.819   0.193   0.069  0.00  0.00    +0.158 A 
ATOM      7  N   LIG    1        2.682   0.192  -1.284  0.00  0.00    -0.236 NA
ATOM      8  C   LIG    1        3.789   0.016  -2.036  0.00  0.00    +0.114 A 
ATOM      9  C   LIG    1        5.051  -0.163  -1.510  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        5.183  -0.161  -0.123  0.00  0.00    +0.064 A 
ATOM     11  C   LIG    1        4.056   0.018   0.683  0.00  0.00    +0.063 A 
BRANCH  10  12
ATOM     12  C   LIG    1        6.496  -0.346   0.536  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1        6.700  -0.355   1.735  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        7.499  -0.511  -0.344  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        8.292  -0.621   0.224  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   2   6
BRANCH   1  16
ATOM     16  O   LIG    1       -0.002   0.620  -0.806  0.00  0.00    -0.471 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -1.357   0.940  -1.132  0.00  0.00    +0.266 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -3.709  -0.067  -0.995  0.00  0.00    -0.040 A 
ATOM     19  C   LIG    1       -2.308  -0.245  -1.077  0.00  0.00    -0.007 A 
ATOM     20  C   LIG    1       -1.796  -1.554  -1.174  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1       -2.639  -2.667  -1.140  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -4.010  -2.485  -1.024  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1       -5.055  -3.851  -0.976  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1       -4.545  -1.200  -0.954  0.00  0.00    +0.024 A 
BRANCH  18  26
ATOM     25  C   LIG    1       -4.581   1.766   0.494  0.00  0.00    +0.009 C 
ATOM     26  C   LIG    1       -4.362   1.296  -0.936  0.00  0.00    +0.032 C 
ENDBRANCH  18  26
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 7