REMARK  Name = BDB015741
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.637   0.194   0.990  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1        0.355   1.452   0.644  0.00  0.00    -0.180 NA
ATOM      3  C   LIG    1       -0.777   1.647  -0.047  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.612   0.680  -0.459  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -1.305  -0.576  -0.091  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1       -0.180  -0.866   0.655  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.282  -1.615  -0.506  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.861  -2.832  -0.903  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -2.742  -3.825  -1.313  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -2.199  -5.109  -1.725  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -4.121  -3.628  -1.357  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -4.944  -4.468  -1.709  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -4.591  -2.282  -0.943  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -3.713  -1.351  -0.551  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        1.804   0.019   1.740  0.00  0.00    -0.325 N 
ATOM     16  H   LIG    1        2.168   0.965   1.866  0.00  0.00    +0.148 HD
BRANCH  15  17
ATOM     17  C   LIG    1        2.798  -0.830   1.096  0.00  0.00    +0.139 C 
BRANCH  17  22
ATOM     18  C   LIG    1        7.729  -0.498   4.050  0.00  0.00    +0.065 C 
ATOM     19  C   LIG    1        6.459  -0.561   3.256  0.00  0.00    +0.038 A 
ATOM     20  N   LIG    1        5.467  -1.349   3.732  0.00  0.00    -0.260 NA
ATOM     21  C   LIG    1        4.317  -1.401   3.020  0.00  0.00    +0.116 A 
ATOM     22  C   LIG    1        4.104  -0.716   1.829  0.00  0.00    -0.012 A 
ATOM     23  C   LIG    1        5.139   0.099   1.366  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1        6.330   0.177   2.084  0.00  0.00    +0.023 A 
ENDBRANCH  17  22
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  25
ATOM     25  O   LIG    1       -1.015   2.965  -0.416  0.00  0.00    -0.420 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -2.296   3.260  -0.821  0.00  0.00    +0.170 A 
ATOM     27  C   LIG    1       -3.363   3.195   0.080  0.00  0.00    +0.166 A 
ATOM     28  F   LIG    1       -3.157   2.817   1.350  0.00  0.00    -0.202 F 
ATOM     29  C   LIG    1       -4.652   3.531  -0.320  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -4.877   3.951  -1.630  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1       -3.811   4.040  -2.531  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1       -2.507   3.708  -2.134  0.00  0.00    -0.005 A 
ATOM     33  C   LIG    1       -1.369   3.806  -3.108  0.00  0.00    +0.047 C 
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 6