REMARK  Name = BDB016001
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.468   1.714   1.117  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.144   0.973   0.174  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.437   1.225  -0.109  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1       -2.149   2.216   0.570  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -1.425   2.922   1.514  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1       -0.126   2.704   1.802  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        3.872  -0.013   1.093  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.532   0.306   0.817  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        1.881   1.405   1.417  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        2.634   2.186   2.313  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        3.969   1.887   2.593  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.585   0.794   1.985  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        4.648  -4.447  -1.005  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        4.834  -3.125  -0.458  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        6.066  -2.589  -0.426  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        5.870  -1.393   0.137  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.514  -1.155   0.464  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        3.872  -2.310   0.064  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.554   2.501   0.346  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -4.115   3.762   0.322  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -5.447   3.582   0.079  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -6.456   4.607  -0.040  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -5.797   2.292  -0.059  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -4.647   1.634   0.112  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -2.074   0.442  -1.095  0.00  0.00    -0.328 N 
ATOM     26  H   LIG    1       -2.549   1.069  -1.743  0.00  0.00    +0.147 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.242  -0.528  -1.806  0.00  0.00    +0.106 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -1.033  -1.805  -1.000  0.00  0.00    +0.006 C 
ATOM     29  C   LIG    1       -0.404  -2.995  -1.773  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -1.322  -3.920  -0.949  0.00  0.00    +0.001 C 
ATOM     31  C   LIG    1       -2.272  -2.716  -0.789  0.00  0.00    +0.005 C 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 6