REMARK  Name = BDB012865
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.917   2.183  -1.389  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1       -1.535   2.170  -1.457  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1       -0.588   1.411  -0.650  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        0.780   2.069  -0.908  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        0.604   2.657  -2.307  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -0.840   3.128  -2.297  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -3.553   3.018  -2.036  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -4.508  -0.360   0.735  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1       -5.536   0.425   0.395  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1       -4.979   1.359  -0.391  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1       -5.569   2.079  -0.795  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1       -3.623   1.230  -0.564  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1       -3.298   0.096   0.155  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -5.633  -2.591   0.984  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -4.702  -1.558   1.621  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1       -5.206  -1.161   3.010  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1        1.917   1.169  -0.836  0.00  0.00    -0.307 N 
ATOM     18  H   LIG    1        2.710   1.377  -1.430  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        2.177   0.461   0.322  0.00  0.00    +0.244 C 
ATOM     20  O   LIG    1        1.417   0.449   1.284  0.00  0.00    -0.270 OA
BRANCH  19  21
ATOM     21  C   LIG    1        3.470  -0.277   0.371  0.00  0.00    +0.037 A 
ATOM     22  C   LIG    1        4.081  -0.759  -0.798  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        5.306  -1.449  -0.698  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.870  -1.642   0.563  0.00  0.00    +0.046 A 
ATOM     25  N   LIG    1        7.046  -2.337   0.379  0.00  0.00    -0.361 N 
ATOM     26  H   LIG    1        7.667  -2.621   1.123  0.00  0.00    +0.165 HD
ATOM     27  C   LIG    1        7.240  -2.590  -0.953  0.00  0.00    +0.083 A 
ATOM     28  C   LIG    1        5.270  -1.185   1.741  0.00  0.00    +0.027 A 
ATOM     29  C   LIG    1        6.178  -2.054  -1.644  0.00  0.00    +0.027 A 
ATOM     30  C   LIG    1        4.055  -0.502   1.622  0.00  0.00    +0.015 A 
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 4