REMARK  Name = BDB049184
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.032   0.041   0.812  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1       -0.420  -0.937   0.028  0.00  0.00    +0.140 A 
ATOM      3  N   LIG    1        0.936  -0.907  -0.294  0.00  0.00    -0.126 N 
ATOM      4  O   LIG    1        1.399  -1.867  -1.001  0.00  0.00    -0.163 OA
ATOM      5  C   LIG    1        1.734   0.155   0.196  0.00  0.00    +0.140 A 
ATOM      6  C   LIG    1        1.110   1.151   0.978  0.00  0.00    +0.045 A 
ATOM      7  C   LIG    1       -0.249   1.093   1.282  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   5   8
ATOM      8  N   LIG    1        3.123   0.360  -0.069  0.00  0.00    -0.328 N 
ATOM      9  H   LIG    1        3.609   0.537   0.806  0.00  0.00    +0.147 HD
BRANCH   8  10
ATOM     10  C   LIG    1        3.815  -0.614  -0.913  0.00  0.00    +0.104 C 
BRANCH  10  11
ATOM     11  C   LIG    1        5.276  -0.199  -1.118  0.00  0.00    +0.033 C 
BRANCH  11  12
ATOM     12  C   LIG    1        6.143  -0.508   0.102  0.00  0.00    +0.079 C 
BRANCH  12  13
ATOM     13  N   LIG    1        7.528  -0.116  -0.138  0.00  0.00    -0.330 NA
ATOM     14  H   LIG    1        8.103  -0.396   0.656  0.00  0.00    +0.118 HD
ATOM     15  H   LIG    1        7.894  -0.619  -0.946  0.00  0.00    +0.118 HD
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   5   8
BRANCH   1  16
ATOM     16  C   LIG    1       -2.506  -0.033   1.118  0.00  0.00    +0.118 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -3.227   1.029   0.421  0.00  0.00    -0.312 NA
ATOM     18  H   LIG    1       -3.027   0.983  -0.577  0.00  0.00    +0.122 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -4.671   0.955   0.657  0.00  0.00    +0.082 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -5.477   0.435  -0.541  0.00  0.00    +0.030 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -5.231  -1.024  -0.923  0.00  0.00    +0.079 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -5.590  -1.943   0.152  0.00  0.00    -0.330 NA
ATOM     23  H   LIG    1       -5.462  -2.902  -0.170  0.00  0.00    +0.118 HD
ATOM     24  H   LIG    1       -6.584  -1.852   0.362  0.00  0.00    +0.118 HD
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 11