REMARK  Name = BDB049619
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.751   0.971   0.433  0.00  0.00    +0.196 C 
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1       -4.782  -1.984   0.207  0.00  0.00    +0.086 A 
ATOM      3  C   LIG    1       -3.554  -1.371  -0.060  0.00  0.00    +0.079 A 
ATOM      4  C   LIG    1       -2.785  -1.754  -1.149  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1       -1.630  -0.941  -1.161  0.00  0.00    +0.054 A 
ATOM      6  C   LIG    1       -1.694  -0.086  -0.071  0.00  0.00    +0.052 A 
ATOM      7  N   LIG    1       -3.151  -2.742  -1.999  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1       -4.318  -3.350  -1.704  0.00  0.00    +0.112 A 
ATOM      9  N   LIG    1       -2.872  -0.368   0.588  0.00  0.00    -0.354 N 
ATOM     10  H   LIG    1       -3.208   0.086   1.431  0.00  0.00    +0.166 HD
ATOM     11  C   LIG    1       -5.153  -3.027  -0.643  0.00  0.00    +0.037 A 
BRANCH   2  13
ATOM     12  O   LIG    1       -5.065  -1.028   2.354  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1       -5.576  -1.545   1.373  0.00  0.00    +0.339 C 
BRANCH  13  14
ATOM     14  O   LIG    1       -6.904  -1.725   1.237  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1       -7.205  -1.924   0.331  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   2  13
ENDBRANCH   1   6
BRANCH   1  16
ATOM     16  C   LIG    1       -1.403   2.332   0.614  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1       -1.908   3.111  -0.442  0.00  0.00    +0.047 A 
ATOM     18 CL   LIG    1       -1.851   2.611  -2.096  0.00  0.00    -0.083 Cl
ATOM     19  C   LIG    1       -2.505   4.353  -0.187  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -2.609   4.836   1.116  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -2.116   4.080   2.173  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -1.519   2.842   1.925  0.00  0.00    +0.008 A 
ENDBRANCH   1  16
BRANCH   1  23
ATOM     23  O   LIG    1        0.339   1.084  -0.482  0.00  0.00    -0.365 OA
BRANCH  23  24
ATOM     24  C   LIG    1        1.499   0.362  -0.065  0.00  0.00    +0.176 C 
BRANCH  24  25
ATOM     25  C   LIG    1        2.567   0.473  -1.166  0.00  0.00    +0.112 C 
BRANCH  25  26
ATOM     26  N   LIG    1        3.853  -0.189  -0.918  0.00  0.00    -0.300 NA
ATOM     27  C   LIG    1        3.749  -1.621  -0.663  0.00  0.00    +0.084 C 
ATOM     28  C   LIG    1        5.123  -2.284  -0.814  0.00  0.00    +0.015 C 
ATOM     29  C   LIG    1        6.272  -1.428  -0.275  0.00  0.00    +0.002 C 
ATOM     30  C   LIG    1        5.766  -0.376   0.701  0.00  0.00    +0.015 C 
ATOM     31  C   LIG    1        4.691   0.514   0.060  0.00  0.00    +0.084 C 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 8