REMARK  Name = BDB057773
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.769  -1.296   0.385  0.00  0.00    +0.090 A 
ATOM      2  N   LIG    1        2.778  -2.564  -0.113  0.00  0.00    -0.253 NA
ATOM      3  C   LIG    1        1.598  -3.167  -0.371  0.00  0.00    +0.112 A 
ATOM      4  C   LIG    1        0.373  -2.562  -0.180  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1        0.370  -1.258   0.307  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1        1.573  -0.621   0.611  0.00  0.00    +0.043 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        6.497  -0.748   0.773  0.00  0.00    +0.062 A 
ATOM      8  C   LIG    1        5.282  -1.392   0.526  0.00  0.00    +0.045 A 
ATOM      9  C   LIG    1        4.092  -0.680   0.651  0.00  0.00    +0.090 A 
ATOM     10  N   LIG    1        4.094   0.631   1.015  0.00  0.00    -0.253 NA
ATOM     11  C   LIG    1        5.279   1.231   1.258  0.00  0.00    +0.112 A 
ATOM     12  C   LIG    1        6.498   0.593   1.149  0.00  0.00    +0.035 A 
BRANCH   7  13
ATOM     13  C   LIG    1        7.747  -1.537   0.639  0.00  0.00    +0.339 C 
ATOM     14  O   LIG    1        7.767  -2.738   0.425  0.00  0.00    -0.245 OA
BRANCH  13  16
ATOM     15  C   LIG    1       10.080  -1.437   0.703  0.00  0.00    +0.280 C 
ATOM     16  O   LIG    1        8.835  -0.739   0.786  0.00  0.00    -0.464 OA
ENDBRANCH  13  16
ENDBRANCH   7  13
ENDBRANCH   1   9
BRANCH   5  17
ATOM     17  C   LIG    1       -0.903  -0.524   0.531  0.00  0.00    +0.248 C 
ATOM     18  N   LIG    1       -1.829  -0.671  -0.486  0.00  0.00    -0.282 N 
ATOM     19  H   LIG    1       -1.526  -1.156  -1.320  0.00  0.00    +0.155 HD
ATOM     20  O   LIG    1       -1.010   0.155   1.542  0.00  0.00    -0.270 OA
BRANCH  18  21
ATOM     21  C   LIG    1       -3.125  -0.120  -0.545  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1       -3.851  -0.312  -1.725  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1       -5.145   0.207  -1.858  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1       -5.753   0.934  -0.825  0.00  0.00    -0.043 A 
ATOM     25  C   LIG    1       -5.017   1.100   0.356  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1       -3.720   0.586   0.496  0.00  0.00    +0.023 A 
BRANCH  24  27
ATOM     27  C   LIG    1       -7.151   1.486  -0.970  0.00  0.00    +0.037 C 
ATOM     28  C   LIG    1       -7.415   2.959  -0.734  0.00  0.00    +0.059 C 
ATOM     29  C   LIG    1       -7.481   2.406  -2.123  0.00  0.00    +0.028 C 
BRANCH  28  30
ATOM     30  N   LIG    1       -8.657   3.365  -0.081  0.00  0.00    -0.327 NA
ATOM     31  H   LIG    1       -8.873   4.340  -0.288  0.00  0.00    +0.118 HD
ATOM     32  H   LIG    1       -8.566   3.308   0.932  0.00  0.00    +0.118 HD
ENDBRANCH  28  30
ENDBRANCH  24  27
ENDBRANCH  18  21
ENDBRANCH   5  17
TORSDOF 7