REMARK  Name = BDB049243
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.542  -2.191  -0.803  0.00  0.00    -0.284 N 
ATOM      2  H   LIG    1        0.328  -3.136  -1.090  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -5.102  -0.046   1.154  0.00  0.00    +0.046 C 
ATOM      4  C   LIG    1       -4.165   0.960   0.448  0.00  0.00    +0.091 C 
ATOM      5  C   LIG    1       -2.837   0.260   0.127  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -1.579   0.556   0.676  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1       -0.480  -0.293   0.398  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -0.555  -1.395  -0.455  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1       -1.786  -1.644  -1.051  0.00  0.00    +0.024 A 
ATOM     10  N   LIG    1       -1.236   1.649   1.493  0.00  0.00    -0.283 N 
ATOM     11  H   LIG    1       -0.301   1.657   1.889  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -1.873   2.830   1.719  0.00  0.00    +0.243 C 
ATOM     13  O   LIG    1       -1.318   3.696   2.400  0.00  0.00    -0.273 OA
ATOM     14  C   LIG    1       -3.204   3.074   1.061  0.00  0.00    +0.256 C 
ATOM     15  C   LIG    1       -2.898  -0.847  -0.759  0.00  0.00    +0.010 A 
ATOM     16  O   LIG    1       -4.096   2.033   1.387  0.00  0.00    -0.360 OA
ATOM     17  C   LIG    1       -4.879   1.466  -0.825  0.00  0.00    +0.046 C 
ENDBRANCH   1   8
BRANCH   1  18
ATOM     18  C   LIG    1        1.905  -2.098  -0.520  0.00  0.00    +0.222 A 
ATOM     19  N   LIG    1        2.577  -3.255  -0.659  0.00  0.00    -0.211 NA
ATOM     20  C   LIG    1        3.886  -3.176  -0.351  0.00  0.00    +0.116 A 
ATOM     21  C   LIG    1        4.493  -2.002   0.047  0.00  0.00    +0.193 A 
ATOM     22  O   LIG    1        5.818  -2.205   0.291  0.00  0.00    -0.458 OA
ATOM     23  C   LIG    1        6.053  -3.526   0.050  0.00  0.00    +0.198 A 
ATOM     24  C   LIG    1        3.769  -0.823   0.137  0.00  0.00    +0.167 A 
ATOM     25  C   LIG    1        4.898  -4.162  -0.350  0.00  0.00    +0.069 A 
ATOM     26  N   LIG    1        2.457  -0.912  -0.167  0.00  0.00    -0.196 NA
BRANCH  24  27
ATOM     27  N   LIG    1        4.344   0.380   0.549  0.00  0.00    -0.318 N 
ATOM     28  H   LIG    1        5.356   0.277   0.597  0.00  0.00    +0.148 HD
BRANCH  27  29
ATOM     29  C   LIG    1        3.920   1.584  -0.195  0.00  0.00    +0.216 C 
BRANCH  29  30
ATOM     30  C   LIG    1        2.486   2.103   0.005  0.00  0.00    +0.405 C 
ATOM     31  F   LIG    1        1.623   1.603  -0.906  0.00  0.00    -0.169 F 
ATOM     32  F   LIG    1        2.473   3.454  -0.166  0.00  0.00    -0.169 F 
ATOM     33  F   LIG    1        1.993   1.865   1.241  0.00  0.00    -0.169 F 
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH  24  27
ENDBRANCH   1  18
TORSDOF 5