REMARK  Name = BDB064255
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.324   0.160   2.749  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        1.073   0.044   1.555  0.00  0.00    +0.245 C 
ATOM      3  N   LIG    1        2.047  -0.079   0.588  0.00  0.00    -0.304 N 
ATOM      4  H   LIG    1        1.786  -0.314  -0.360  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -0.338   0.001   1.084  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -1.320  -0.454   1.962  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1       -2.660  -0.513   1.555  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1       -3.070  -0.108   0.275  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -2.060   0.355  -0.584  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -0.714   0.418  -0.193  0.00  0.00    +0.015 A 
BRANCH   8  11
ATOM     11  N   LIG    1       -4.383  -0.177  -0.125  0.00  0.00    -0.327 N 
ATOM     12  C   LIG    1       -4.914   0.505  -1.310  0.00  0.00    +0.136 C 
ATOM     13  C   LIG    1       -6.442   0.517  -1.101  0.00  0.00    +0.133 C 
ATOM     14  C   LIG    1       -6.680  -0.696  -0.220  0.00  0.00    +0.052 C 
ATOM     15  C   LIG    1       -5.474  -0.670   0.718  0.00  0.00    +0.108 C 
BRANCH  13  16
ATOM     16  O   LIG    1       -6.889   1.681  -0.401  0.00  0.00    -0.390 OA
ATOM     17  H   LIG    1       -6.500   2.460  -0.833  0.00  0.00    +0.210 HD
ENDBRANCH  13  16
ENDBRANCH   8  11
ENDBRANCH   2   5
BRANCH   3  18
ATOM     18  C   LIG    1        3.467  -0.102   0.923  0.00  0.00    +0.106 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.238  -0.831  -0.176  0.00  0.00    -0.027 A 
ATOM     20  C   LIG    1        3.901  -2.174  -0.446  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1        4.564  -2.904  -1.436  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        5.583  -2.304  -2.167  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1        6.403  -3.197  -3.387  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1        5.945  -0.985  -1.910  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        5.280  -0.255  -0.918  0.00  0.00    +0.007 A 
ENDBRANCH  18  19
BRANCH  18  26
ATOM     26  C   LIG    1        3.974   1.299   1.322  0.00  0.00    +0.055 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.552   2.421   0.378  0.00  0.00    +0.158 C 
BRANCH  27  28
ATOM     28  O   LIG    1        4.223   3.624   0.736  0.00  0.00    -0.395 OA
ATOM     29  H   LIG    1        3.940   3.854   1.639  0.00  0.00    +0.209 HD
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  18  26
ENDBRANCH   3  18
TORSDOF 8