REMARK  Name = BDB012616
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.472  -0.509   0.773  0.00  0.00    -0.336 N 
ATOM      2  C   LIG    1        1.639  -1.189   0.576  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        2.623  -0.222   0.563  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        2.065   1.029   0.755  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1        0.773   0.818   0.880  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        4.048  -0.464   0.376  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        4.438  -1.751   0.190  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        5.757  -1.973   0.017  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        6.713  -0.973   0.020  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        6.304   0.348   0.211  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        4.942   0.601   0.393  0.00  0.00    +0.040 A 
BRANCH  10  12
ATOM     12  C   LIG    1        7.292   1.412   0.217  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1        8.638   1.203   0.039  0.00  0.00    -0.130 NA
ATOM     14  N   LIG    1        9.255   2.376   0.100  0.00  0.00    -0.068 NA
ATOM     15  N   LIG    1        8.317   3.309   0.312  0.00  0.00    -0.264 N 
ATOM     16  H   LIG    1        8.603   4.279   0.388  0.00  0.00    +0.190 HD
ATOM     17  C   LIG    1        7.073   2.760   0.393  0.00  0.00    +0.135 A 
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  18
ATOM     18  C   LIG    1       -0.852  -1.089   0.864  0.00  0.00    +0.127 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.549  -1.125  -0.495  0.00  0.00    +0.060 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -4.017  -0.979   0.091  0.00  0.00    +0.132 A 
ATOM     21  C   LIG    1       -2.931  -1.722  -0.399  0.00  0.00    -0.003 A 
ATOM     22  C   LIG    1       -3.149  -3.051  -0.792  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -4.419  -3.623  -0.689  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.484  -2.880  -0.183  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -5.283  -1.559   0.215  0.00  0.00    +0.046 A 
BRANCH  20  26
ATOM     26  O   LIG    1       -3.789   0.309   0.523  0.00  0.00    -0.456 OA
BRANCH  26  30
ATOM     27  C   LIG    1       -6.045   3.447  -1.030  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -5.702   3.405   0.321  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -4.952   2.339   0.817  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1       -4.556   1.308  -0.036  0.00  0.00    +0.128 A 
ATOM     31  C   LIG    1       -4.880   1.359  -1.394  0.00  0.00    +0.046 A 
ATOM     32  C   LIG    1       -5.632   2.427  -1.888  0.00  0.00    +0.004 A 
ENDBRANCH  26  30
ENDBRANCH  20  26
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 7