REMARK  Name = BDB014844
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.391   0.495  -0.251  0.00  0.00    -0.298 N 
ATOM      2  H   LIG    1       -0.715   1.454  -0.262  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -7.091   1.971   0.538  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -5.599   2.099   0.365  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -4.884   0.938   0.097  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -3.442   1.122  -0.160  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -2.720  -0.174  -0.080  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -1.331  -0.476  -0.129  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -1.140  -1.798  -0.039  0.00  0.00    -0.156 NA
ATOM     10  N   LIG    1       -2.368  -2.329   0.085  0.00  0.00    -0.269 N 
ATOM     11  C   LIG    1       -2.500  -3.758   0.229  0.00  0.00    +0.172 C 
ATOM     12  C   LIG    1       -3.350  -1.394   0.042  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -4.815  -1.584   0.132  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1       -5.511  -0.310  -0.395  0.00  0.00    +0.114 C 
ATOM     15  O   LIG    1       -5.056   3.199   0.471  0.00  0.00    -0.276 OA
ENDBRANCH   1   8
BRANCH   1  16
ATOM     16  C   LIG    1        1.017   0.432  -0.352  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1        1.740   1.635  -0.417  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        3.137   1.643  -0.515  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        3.857   0.445  -0.549  0.00  0.00    -0.016 A 
ATOM     20  C   LIG    1        3.143  -0.757  -0.487  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        1.745  -0.760  -0.389  0.00  0.00    +0.024 A 
BRANCH  19  22
ATOM     22  C   LIG    1        5.319   0.448  -0.653  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1        6.169   0.249   0.452  0.00  0.00    -0.040 A 
ATOM     24  C   LIG    1        5.627   0.011   1.835  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1        7.555   0.259   0.249  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1        8.048   0.478  -1.028  0.00  0.00    +0.111 A 
ATOM     27  N   LIG    1        7.267   0.680  -2.107  0.00  0.00    -0.263 NA
ATOM     28  C   LIG    1        5.930   0.658  -1.893  0.00  0.00    +0.119 A 
ENDBRANCH  19  22
ENDBRANCH   1  16
TORSDOF 3