REMARK  Name = BDB014175
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.658  -0.786   0.878  0.00  0.00    -0.336 N 
ATOM      2  C   LIG    1        0.234   0.132   1.351  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        1.455  -0.249   0.832  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        1.311  -1.390   0.066  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1        0.033  -1.690   0.123  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        2.721   0.438   1.050  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        2.693   1.556   1.819  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        3.867   2.184   2.033  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        5.073   1.759   1.507  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        5.090   0.618   0.702  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        3.890  -0.060   0.481  0.00  0.00    +0.040 A 
BRANCH  10  12
ATOM     12  C   LIG    1        6.350   0.163   0.150  0.00  0.00    +0.124 A 
ATOM     13  C   LIG    1        6.591  -0.435  -1.066  0.00  0.00    +0.166 A 
ATOM     14  N   LIG    1        7.941  -0.628  -1.074  0.00  0.00    -0.253 N 
ATOM     15  H   LIG    1        8.531  -1.040  -1.792  0.00  0.00    +0.191 HD
ATOM     16  N   LIG    1        8.513  -0.163   0.043  0.00  0.00    -0.067 NA
ATOM     17  N   LIG    1        7.547   0.334   0.803  0.00  0.00    -0.129 NA
BRANCH  13  18
ATOM     18  C   LIG    1        5.777  -0.824  -2.211  0.00  0.00    +0.436 C 
ATOM     19  F   LIG    1        4.886   0.130  -2.566  0.00  0.00    -0.164 F 
ATOM     20  F   LIG    1        6.553  -1.061  -3.302  0.00  0.00    -0.164 F 
ATOM     21  F   LIG    1        5.087  -1.964  -1.976  0.00  0.00    -0.164 F 
ENDBRANCH  13  18
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  22
ATOM     22  C   LIG    1       -2.081  -0.823   1.156  0.00  0.00    +0.131 C 
BRANCH  22  27
ATOM     23  F   LIG    1       -6.963  -1.966   2.400  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1       -6.427  -1.313   1.360  0.00  0.00    +0.124 A 
ATOM     25  C   LIG    1       -5.041  -1.196   1.271  0.00  0.00    +0.042 A 
ATOM     26  C   LIG    1       -4.462  -0.516   0.193  0.00  0.00    -0.037 A 
ATOM     27  C   LIG    1       -2.960  -0.366  -0.027  0.00  0.00    +0.039 C 
ATOM     28  C   LIG    1       -2.649   1.097  -0.419  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1       -3.589   1.700  -1.474  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -4.686   0.755  -1.958  0.00  0.00    +0.035 C 
ATOM     31  C   LIG    1       -5.313   0.040  -0.789  0.00  0.00    -0.044 A 
ATOM     32  C   LIG    1       -6.704  -0.098  -0.692  0.00  0.00    +0.007 A 
ATOM     33  C   LIG    1       -7.261  -0.773   0.390  0.00  0.00    +0.038 A 
ENDBRANCH  22  27
ENDBRANCH   1  22
TORSDOF 5