REMARK  Name = BDB014746
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -6.590   2.686  -1.213  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -5.085   2.692  -1.132  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -4.468   1.572  -0.588  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -3.002   1.661  -0.442  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -2.414   0.318  -0.201  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -1.061  -0.120  -0.146  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -1.005  -1.433   0.109  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.280  -1.821   0.216  0.00  0.00    -0.263 N 
ATOM      9  C   LIG    1       -3.167  -0.810   0.042  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -4.644  -0.861   0.063  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -5.180   0.575   0.246  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -4.447   3.660  -1.547  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -2.653  -3.231   0.459  0.00  0.00    +0.108 C 
ATOM     14  C   LIG    1       -1.856  -4.124   1.383  0.00  0.00    +0.029 C 
ATOM     15  C   LIG    1       -3.238  -3.694   1.773  0.00  0.00    +0.029 C 
ENDBRANCH   8  13
BRANCH   6  16
ATOM     16  N   LIG    1       -0.024   0.733  -0.341  0.00  0.00    -0.298 N 
ATOM     17  H   LIG    1       -0.248   1.693  -0.572  0.00  0.00    +0.154 HD
BRANCH  16  18
ATOM     18  C   LIG    1        1.375   0.533  -0.311  0.00  0.00    +0.032 A 
ATOM     19  C   LIG    1        2.215   1.619  -0.604  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1        3.611   1.489  -0.591  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        4.209   0.264  -0.283  0.00  0.00    -0.015 A 
ATOM     22  C   LIG    1        3.379  -0.823   0.007  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1        1.983  -0.687  -0.006  0.00  0.00    +0.024 A 
BRANCH  21  24
ATOM     24  C   LIG    1        5.654   0.107  -0.271  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        6.566   1.108  -0.002  0.00  0.00    +0.116 A 
ATOM     26  N   LIG    1        7.802   0.534  -0.078  0.00  0.00    -0.274 N 
ATOM     27  C   LIG    1        9.074   1.181   0.130  0.00  0.00    +0.172 C 
ATOM     28  N   LIG    1        7.768  -0.776  -0.378  0.00  0.00    -0.179 NA
ATOM     29  C   LIG    1        6.462  -1.034  -0.492  0.00  0.00    +0.142 A 
ENDBRANCH  21  24
ENDBRANCH  16  18
ENDBRANCH   6  16
TORSDOF 4