REMARK  Name = BDB012941
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.028  -0.982   1.579  0.00  0.00    +0.267 C 
ATOM      2  N   LIG    1       -0.041  -1.602   0.825  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1        0.180  -1.523  -0.616  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        1.570  -2.140  -0.827  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        1.647  -3.165   0.306  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        0.949  -2.454   1.458  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -1.016  -1.075   2.809  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -3.889   1.104   0.601  0.00  0.00    +0.039 A 
ATOM      9  N   LIG    1       -3.378   0.632  -0.574  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1       -3.715   0.808  -1.515  0.00  0.00    +0.189 HD
ATOM     11  N   LIG    1       -2.305  -0.158  -0.424  0.00  0.00    -0.169 NA
ATOM     12  C   LIG    1       -2.098  -0.208   0.906  0.00  0.00    +0.147 A 
ATOM     13  C   LIG    1       -3.082   0.571   1.581  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -6.336   1.314   0.134  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -5.086   2.000   0.686  0.00  0.00    +0.031 C 
ATOM     16  C   LIG    1       -4.836   3.331  -0.024  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1        2.627  -1.145  -0.704  0.00  0.00    -0.304 N 
ATOM     18  H   LIG    1        2.501  -0.346  -0.086  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        3.920  -1.375  -1.152  0.00  0.00    +0.282 C 
ATOM     20  O   LIG    1        4.231  -2.376  -1.789  0.00  0.00    -0.267 OA
BRANCH  19  21
ATOM     21  C   LIG    1        4.912  -0.297  -0.774  0.00  0.00    +0.216 A 
ATOM     22  N   LIG    1        6.183  -0.430  -1.200  0.00  0.00    -0.232 NA
ATOM     23  C   LIG    1        7.027   0.548  -0.828  0.00  0.00    +0.115 A 
ATOM     24  C   LIG    1        6.649   1.628  -0.062  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1        5.327   1.664   0.320  0.00  0.00    +0.115 A 
ATOM     26  N   LIG    1        4.430   0.719  -0.016  0.00  0.00    -0.232 NA
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 4