REMARK  Name = BDB014958
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.260   0.853  -0.457  0.00  0.00    -0.296 N 
ATOM      2  H   LIG    1       -0.439   1.644  -1.070  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -6.790   2.558  -1.941  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -5.284   2.513  -1.923  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -4.678   1.709  -0.964  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -3.204   1.767  -0.923  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -2.654   0.632  -0.134  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -1.317   0.211   0.093  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -1.292  -0.847   0.910  0.00  0.00    -0.155 NA
ATOM     10  N   LIG    1       -2.578  -1.143   1.152  0.00  0.00    -0.259 N 
ATOM     11  C   LIG    1       -3.434  -0.246   0.588  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1       -4.911  -0.192   0.675  0.00  0.00    +0.074 C 
ATOM     13  C   LIG    1       -5.377   1.216   0.244  0.00  0.00    +0.114 C 
ATOM     14  O   LIG    1       -4.635   3.163  -2.743  0.00  0.00    -0.276 OA
BRANCH  10  15
ATOM     15  C   LIG    1       -2.987  -2.227   2.050  0.00  0.00    +0.159 C 
ATOM     16  C   LIG    1       -1.960  -3.353   2.204  0.00  0.00    +0.189 C 
ATOM     17  O   LIG    1       -2.993  -4.347   1.941  0.00  0.00    -0.375 OA
ATOM     18  C   LIG    1       -3.820  -3.307   1.354  0.00  0.00    +0.189 C 
ENDBRANCH  10  15
ENDBRANCH   1   8
BRANCH   1  19
ATOM     19  C   LIG    1        1.132   0.609  -0.387  0.00  0.00    +0.068 A 
ATOM     20  C   LIG    1        1.998   1.483  -1.066  0.00  0.00    +0.145 A 
ATOM     21  F   LIG    1        1.474   2.508  -1.760  0.00  0.00    -0.204 F 
ATOM     22  C   LIG    1        3.383   1.329  -1.048  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1        3.949   0.272  -0.335  0.00  0.00    -0.012 A 
ATOM     24  C   LIG    1        3.108  -0.609   0.355  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1        1.716  -0.439   0.328  0.00  0.00    +0.027 A 
BRANCH  23  26
ATOM     26  C   LIG    1        5.387   0.092  -0.306  0.00  0.00    +0.032 A 
ATOM     27  C   LIG    1        6.203  -1.042  -0.601  0.00  0.00    +0.173 A 
ATOM     28  N   LIG    1        7.510  -0.748  -0.418  0.00  0.00    -0.167 NA
ATOM     29  N   LIG    1        7.514   0.537  -0.029  0.00  0.00    -0.273 N 
ATOM     30  C   LIG    1        8.771   1.186   0.258  0.00  0.00    +0.172 C 
ATOM     31  C   LIG    1        6.272   1.088   0.049  0.00  0.00    +0.117 A 
BRANCH  27  32
ATOM     32  C   LIG    1        5.734  -2.395  -1.064  0.00  0.00    +0.437 C 
ATOM     33  F   LIG    1        4.815  -2.302  -2.064  0.00  0.00    -0.164 F 
ATOM     34  F   LIG    1        5.138  -3.094  -0.058  0.00  0.00    -0.164 F 
ATOM     35  F   LIG    1        6.735  -3.184  -1.540  0.00  0.00    -0.164 F 
ENDBRANCH  27  32
ENDBRANCH  23  26
ENDBRANCH   1  19
TORSDOF 5