REMARK  Name = BDB061452
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.319  -3.395   1.116  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1       -2.535  -2.179   1.449  0.00  0.00    +0.109 A 
ATOM      3  N   LIG    1       -1.266  -1.927   0.971  0.00  0.00    -0.309 N 
ATOM      4  C   LIG    1       -0.844  -0.742   1.512  0.00  0.00    +0.161 A 
ATOM      5  C   LIG    1       -1.909  -0.304   2.281  0.00  0.00    +0.108 A 
ATOM      6  C   LIG    1       -1.771   0.917   2.944  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1       -0.560   1.599   2.779  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1        0.458   1.052   1.983  0.00  0.00    +0.074 A 
ATOM      9  N   LIG    1        0.343  -0.134   1.329  0.00  0.00    -0.227 NA
ATOM     10  N   LIG    1       -2.944  -1.201   2.239  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        1.749   1.738   1.776  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        2.413   1.650   0.545  0.00  0.00    +0.053 A 
ATOM     13  C   LIG    1        3.620   2.305   0.364  0.00  0.00    +0.119 A 
ATOM     14  N   LIG    1        4.204   3.034   1.326  0.00  0.00    -0.218 NA
ATOM     15  C   LIG    1        3.585   3.107   2.514  0.00  0.00    +0.119 A 
ATOM     16  C   LIG    1        2.370   2.492   2.778  0.00  0.00    +0.053 A 
BRANCH  13  17
ATOM     17  N   LIG    1        4.269   2.260  -0.869  0.00  0.00    -0.343 N 
ATOM     18  H   LIG    1        5.147   2.763  -0.769  0.00  0.00    +0.144 HD
ATOM     19  H   LIG    1        4.412   1.307  -1.179  0.00  0.00    +0.144 HD
ENDBRANCH  13  17
BRANCH  15  20
ATOM     20  N   LIG    1        4.216   3.871   3.496  0.00  0.00    -0.343 N 
ATOM     21  H   LIG    1        5.099   4.185   3.094  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1        4.361   3.334   4.342  0.00  0.00    +0.144 HD
ENDBRANCH  15  20
ENDBRANCH   8  11
BRANCH   3  23
ATOM     23  C   LIG    1       -0.482  -2.748   0.067  0.00  0.00    +0.169 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -0.780  -2.443  -1.409  0.00  0.00    +0.192 C 
ATOM     25  C   LIG    1       -0.057  -3.451  -2.299  0.00  0.00    +0.054 C 
BRANCH  24  26
ATOM     26  O   LIG    1       -0.266  -1.137  -1.704  0.00  0.00    -0.472 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -1.037  -0.388  -2.566  0.00  0.00    +0.215 A 
ATOM     28  N   LIG    1       -1.952  -0.996  -3.350  0.00  0.00    -0.221 NA
ATOM     29  C   LIG    1       -2.651  -0.201  -4.189  0.00  0.00    +0.114 A 
ATOM     30  C   LIG    1       -2.475   1.170  -4.281  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -1.519   1.765  -3.465  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1       -0.780   0.973  -2.594  0.00  0.00    +0.067 A 
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 7