REMARK  Name = BDB020940
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.438   2.310  -0.813  0.00  0.00    +0.029 C 
ATOM      2  C   LIG    1       -3.218   1.626  -0.195  0.00  0.00    +0.089 C 
ATOM      3  N   LIG    1       -3.533   0.545   0.787  0.00  0.00    -0.309 N 
ATOM      4  C   LIG    1       -2.363  -0.309   1.138  0.00  0.00    +0.126 C 
ATOM      5  C   LIG    1       -1.010   0.341   0.790  0.00  0.00    +0.126 C 
ATOM      6  N   LIG    1       -0.923   0.742  -0.623  0.00  0.00    -0.298 N 
ATOM      7  C   LIG    1        0.238   0.786  -1.377  0.00  0.00    +0.216 C 
ATOM      8  O   LIG    1        0.238   1.141  -2.555  0.00  0.00    -0.276 OA
ATOM      9  C   LIG    1       -2.185   1.176  -1.248  0.00  0.00    +0.130 C 
ENDROOT
BRANCH   3  10
ATOM     10  C   LIG    1       -4.600  -0.312   0.452  0.00  0.00    +0.122 A 
ATOM     11  N   LIG    1       -4.799  -0.688  -0.828  0.00  0.00    -0.239 NA
ATOM     12  C   LIG    1       -5.819  -1.542  -1.092  0.00  0.00    +0.131 A 
ATOM     13  C   LIG    1       -6.664  -2.060  -0.125  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1       -6.446  -1.680   1.194  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1       -5.402  -0.801   1.484  0.00  0.00    +0.045 A 
BRANCH  13  16
ATOM     16  C   LIG    1       -7.717  -2.955  -0.481  0.00  0.00    +0.101 C 
ATOM     17  N   LIG    1       -8.572  -3.685  -0.769  0.00  0.00    -0.191 NA
ENDBRANCH  13  16
ENDBRANCH   3  10
BRANCH   7  18
ATOM     18  C   LIG    1        1.524   0.390  -0.675  0.00  0.00    +0.103 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.740   0.546  -1.584  0.00  0.00    +0.083 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.997   0.396  -0.769  0.00  0.00    +0.111 A 
ATOM     21  N   LIG    1        4.574   1.558  -0.335  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1        4.194   2.459  -0.593  0.00  0.00    +0.170 HD
ATOM     23  C   LIG    1        5.709   1.593   0.434  0.00  0.00    +0.259 A 
ATOM     24  O   LIG    1        6.210   2.647   0.807  0.00  0.00    -0.267 OA
ATOM     25  C   LIG    1        6.280   0.282   0.783  0.00  0.00    +0.065 A 
ATOM     26  C   LIG    1        5.620  -0.854   0.305  0.00  0.00    +0.078 A 
ATOM     27  C   LIG    1        6.141  -2.110   0.621  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1        7.298  -2.225   1.399  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        7.945  -1.081   1.869  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        7.437   0.180   1.562  0.00  0.00    +0.015 A 
ATOM     31  N   LIG    1        4.454  -0.778  -0.477  0.00  0.00    -0.234 NA
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   7  18
TORSDOF 5