REMARK  Name = BDB014557
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.162  -4.252   0.291  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1        0.341  -3.749  -0.979  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -0.477  -3.384  -1.460  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        1.083  -4.475   1.071  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1       -1.300  -4.567   0.623  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1       -2.216  -3.566   0.192  0.00  0.00    -0.482 OA
BRANCH   6  11
ATOM      7  C   LIG    1       -3.903   2.264   0.789  0.00  0.00    +0.129 C 
ATOM      8  N   LIG    1       -3.460   1.085   0.054  0.00  0.00    -0.333 N 
ATOM      9  C   LIG    1       -2.906   0.003   0.748  0.00  0.00    +0.036 A 
ATOM     10  C   LIG    1       -2.779  -1.272   0.144  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1       -2.216  -2.363   0.852  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1       -1.734  -2.179   2.147  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1       -1.829  -0.930   2.745  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1       -3.277  -1.496  -1.267  0.00  0.00    +0.042 C 
ATOM     15  C   LIG    1       -3.416  -0.196  -2.033  0.00  0.00    +0.024 C 
ATOM     16  C   LIG    1       -2.408   0.141   2.054  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1       -4.179   0.803  -1.189  0.00  0.00    +0.105 C 
ENDBRANCH   6  11
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  18
ATOM     18  C   LIG    1        1.632  -3.321  -1.486  0.00  0.00    +0.136 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.794  -1.794  -1.495  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1        0.734  -1.208  -2.268  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1        0.678  -0.283  -1.944  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1        1.792  -1.178  -0.080  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1        1.894   0.301  -0.135  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        3.268   0.731  -0.474  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        3.510   2.218  -0.309  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        2.657   3.011   0.479  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        2.925   4.376   0.643  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        4.051   4.947   0.050  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        4.910   4.161  -0.716  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        1.425   2.402   1.091  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1        4.643   2.804  -0.894  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        1.512   0.873   1.170  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 8