REMARK  Name = BDB045798
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.126  -0.592  -3.019  0.00  0.00    +0.058 A 
ATOM      2  C   LIG    1       -0.267  -0.827  -3.112  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -0.806  -1.140  -4.364  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1        0.015  -1.254  -5.492  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        1.389  -1.062  -5.385  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.947  -0.734  -4.152  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        2.754   0.747  -1.804  0.00  0.00    -0.281 N 
ATOM      8  H   LIG    1        2.930   1.151  -2.715  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1        1.738  -0.188  -1.715  0.00  0.00    +0.250 C 
ATOM     10  O   LIG    1        1.265  -0.654  -0.682  0.00  0.00    -0.270 OA
BRANCH   7  13
ATOM     11  C   LIG    1        4.136   1.519   1.603  0.00  0.00    -0.035 A 
ATOM     12  C   LIG    1        3.373   0.910   0.592  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        3.494   1.310  -0.741  0.00  0.00    +0.034 A 
ATOM     14  C   LIG    1        4.400   2.328  -1.061  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1        5.160   2.944  -0.064  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        5.025   2.545   1.264  0.00  0.00    +0.004 A 
BRANCH  11  17
ATOM     17  C   LIG    1        3.971   1.085   3.040  0.00  0.00    +0.155 C 
BRANCH  17  19
ATOM     18  O   LIG    1        2.376   2.892   3.447  0.00  0.00    -0.251 OA
ATOM     19  C   LIG    1        2.912   1.855   3.804  0.00  0.00    +0.309 C 
BRANCH  19  20
ATOM     20  O   LIG    1        2.623   1.283   5.001  0.00  0.00    -0.480 OA
ATOM     21  H   LIG    1        3.112   0.458   5.180  0.00  0.00    +0.295 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH  11  17
ENDBRANCH   7  13
ENDBRANCH   1   9
BRANCH   2  22
ATOM     22  N   LIG    1       -1.061  -0.736  -1.941  0.00  0.00    -0.281 N 
ATOM     23  H   LIG    1       -0.519  -0.639  -1.081  0.00  0.00    +0.155 HD
ATOM     24  C   LIG    1       -2.425  -0.891  -1.809  0.00  0.00    +0.248 C 
ATOM     25  O   LIG    1       -3.218  -1.161  -2.704  0.00  0.00    -0.270 OA
BRANCH  24  26
ATOM     26  C   LIG    1       -2.950  -0.727  -0.420  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1       -4.103  -1.437  -0.058  0.00  0.00    +0.021 A 
ATOM     28  C   LIG    1       -4.645  -1.322   1.233  0.00  0.00    -0.017 A 
ATOM     29  C   LIG    1       -4.022  -0.469   2.173  0.00  0.00    -0.018 A 
ATOM     30  C   LIG    1       -4.565  -0.356   3.463  0.00  0.00    +0.008 A 
ATOM     31  C   LIG    1       -5.707  -1.074   3.821  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -6.321  -1.913   2.896  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       -2.878   0.251   1.796  0.00  0.00    +0.009 A 
ATOM     34  C   LIG    1       -5.794  -2.036   1.609  0.00  0.00    +0.008 A 
ATOM     35  C   LIG    1       -2.347   0.129   0.509  0.00  0.00    +0.013 A 
ENDBRANCH  24  26
ENDBRANCH   2  22
TORSDOF 7