REMARK  Name = BDB017013
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.953   0.341  -0.822  0.00  0.00    -0.335 N 
ATOM      2  C   LIG    1        1.944   0.913  -0.078  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        3.066   0.145  -0.318  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        2.763  -0.876  -1.199  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1        1.490  -0.724  -1.486  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        4.384   0.362   0.264  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        4.514   1.407   1.125  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        5.729   1.618   1.671  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        6.835   0.837   1.402  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        6.683  -0.230   0.517  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        5.440  -0.476  -0.065  0.00  0.00    +0.045 A 
BRANCH  10  12
ATOM     12  C   LIG    1        7.866  -1.069   0.227  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1        8.978  -0.912   0.696  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        7.603  -2.065  -0.636  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        8.459  -2.532  -0.736  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  16
ATOM     16  C   LIG    1       -0.423   0.788  -0.904  0.00  0.00    +0.138 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.299   0.128   0.169  0.00  0.00    +0.106 C 
BRANCH  17  21
ATOM     18  C   LIG    1       -6.065  -0.242   1.431  0.00  0.00    +0.056 A 
ATOM     19  C   LIG    1       -4.872  -0.051   0.750  0.00  0.00    -0.012 A 
ATOM     20  C   LIG    1       -3.481   0.115   1.280  0.00  0.00    +0.121 C 
ATOM     21  N   LIG    1       -2.692   0.579   0.115  0.00  0.00    -0.292 NA
ATOM     22  C   LIG    1       -3.421   0.153  -1.101  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1       -4.834  -0.029  -0.646  0.00  0.00    -0.028 A 
ATOM     24  C   LIG    1       -5.983  -0.195  -1.400  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -7.193  -0.377  -0.728  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -7.236  -0.401   0.677  0.00  0.00    +0.019 A 
BRANCH  18  28
ATOM     27  N   LIG    1       -6.130  -0.321   4.021  0.00  0.00    -0.191 NA
ATOM     28  C   LIG    1       -6.108  -0.283   2.861  0.00  0.00    +0.099 C 
ENDBRANCH  18  28
ENDBRANCH  17  21
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 7