REMARK  Name = BDB018914
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.144  -0.132  -1.025  0.00  0.00    -0.300 N 
ATOM      2  C   LIG    1       -1.553  -0.041  -0.884  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1       -2.429  -0.331  -1.943  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -3.820  -0.235  -1.758  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -4.370   0.196  -0.542  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1       -3.514   0.528   0.518  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -1.907  -0.770  -3.284  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -0.469  -0.321  -3.471  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1       -2.120   0.421   0.319  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        0.351  -0.759  -2.268  0.00  0.00    +0.111 C 
ENDROOT
BRANCH   1  21
ATOM     11  C   LIG    1        8.076  -0.239  -1.439  0.00  0.00    +0.129 C 
ATOM     12  N   LIG    1        7.218  -0.358  -0.285  0.00  0.00    -0.302 N 
ATOM     13  H   LIG    1        7.049  -1.298   0.033  0.00  0.00    +0.150 HD
ATOM     14  C   LIG    1        6.141   0.488  -0.157  0.00  0.00    +0.302 C 
ATOM     15  N   LIG    1        5.368   0.274   0.972  0.00  0.00    -0.280 N 
ATOM     16  C   LIG    1        4.140   1.047   1.126  0.00  0.00    +0.146 C 
ATOM     17  C   LIG    1        2.911   0.172   1.133  0.00  0.00    -0.008 A 
ATOM     18  C   LIG    1        2.683  -0.815   2.106  0.00  0.00    +0.032 A 
ATOM     19  C   LIG    1        1.471  -1.526   2.045  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1        0.537  -1.316   1.026  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        0.774  -0.364   0.036  0.00  0.00    +0.034 A 
ATOM     22  N   LIG    1        3.516  -1.085   3.188  0.00  0.00    -0.342 N 
ATOM     23  H   LIG    1        3.397  -2.027   3.551  0.00  0.00    +0.146 HD
ATOM     24  C   LIG    1        4.881  -0.580   3.315  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        1.963   0.370   0.103  0.00  0.00    +0.030 A 
ATOM     26  C   LIG    1        5.708  -0.689   2.027  0.00  0.00    +0.128 C 
ATOM     27  O   LIG    1        5.910   1.371  -0.978  0.00  0.00    -0.253 OA
ENDBRANCH   1  21
BRANCH   5  28
ATOM     28  C   LIG    1       -5.814   0.282  -0.450  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -6.521   1.437  -0.197  0.00  0.00    +0.116 A 
ATOM     30  N   LIG    1       -7.840   1.086  -0.227  0.00  0.00    -0.274 N 
ATOM     31  C   LIG    1       -8.971   1.948   0.014  0.00  0.00    +0.172 C 
ATOM     32  N   LIG    1       -8.046  -0.209  -0.532  0.00  0.00    -0.179 NA
ATOM     33  C   LIG    1       -6.809  -0.697  -0.662  0.00  0.00    +0.142 A 
ENDBRANCH   5  28
BRANCH   6  34
ATOM     34  C   LIG    1       -4.010   1.005   1.859  0.00  0.00    +0.372 C 
ATOM     35  F   LIG    1       -4.455   2.293   1.837  0.00  0.00    -0.204 F 
ATOM     36  F   LIG    1       -5.027   0.256   2.369  0.00  0.00    -0.204 F 
ENDBRANCH   6  34
TORSDOF 3