REMARK  Name = BDB046557
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.658   1.218  -1.182  0.00  0.00    +0.097 A 
ATOM      2  C   LIG    1       -0.974   0.650  -0.086  0.00  0.00    +0.101 A 
ATOM      3  N   LIG    1        0.343   0.921   0.148  0.00  0.00    -0.209 NA
ATOM      4  C   LIG    1        0.943   1.779  -0.701  0.00  0.00    +0.234 A 
ATOM      5  C   LIG    1        0.265   2.357  -1.758  0.00  0.00    +0.178 A 
ATOM      6  N   LIG    1       -1.038   2.097  -2.020  0.00  0.00    -0.248 NA
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -5.737   0.406  -2.287  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1       -4.842  -0.650  -2.095  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -3.514  -0.391  -1.738  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1       -3.054   0.925  -1.554  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -3.966   1.975  -1.769  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1       -5.295   1.720  -2.126  0.00  0.00    +0.019 A 
BRANCH   7  14
ATOM     13  N   LIG    1       -8.199  -0.073  -2.947  0.00  0.00    -0.191 NA
ATOM     14  C   LIG    1       -7.097   0.141  -2.654  0.00  0.00    +0.099 C 
ENDBRANCH   7  14
ENDBRANCH   1  10
BRANCH   2  15
ATOM     15  C   LIG    1       -1.575  -0.251   0.914  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1       -0.960  -1.478   1.222  0.00  0.00    +0.011 A 
ATOM     17  C   LIG    1       -1.508  -2.346   2.172  0.00  0.00    +0.019 A 
ATOM     18  C   LIG    1       -2.682  -1.998   2.844  0.00  0.00    +0.052 A 
ATOM     19  C   LIG    1       -3.299  -0.777   2.563  0.00  0.00    +0.019 A 
ATOM     20  C   LIG    1       -2.747   0.090   1.613  0.00  0.00    +0.011 A 
BRANCH  18  21
ATOM     21  C   LIG    1       -3.245  -2.885   3.819  0.00  0.00    +0.099 C 
ATOM     22  N   LIG    1       -3.704  -3.603   4.607  0.00  0.00    -0.191 NA
ENDBRANCH  18  21
ENDBRANCH   2  15
BRANCH   4  23
ATOM     23  O   LIG    1        2.273   2.101  -0.545  0.00  0.00    -0.475 OA
BRANCH  23  24
ATOM     24  C   LIG    1        2.911   1.498   0.586  0.00  0.00    +0.234 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.430   0.086   0.265  0.00  0.00    +0.029 C 
ATOM     26  C   LIG    1        4.357   0.107  -0.965  0.00  0.00    +0.022 C 
ATOM     27  C   LIG    1        5.300  -1.091  -0.964  0.00  0.00    +0.081 C 
ATOM     28  N   LIG    1        6.170  -1.144   0.210  0.00  0.00    -0.316 NA
ATOM     29  H   LIG    1        7.091  -0.768  -0.015  0.00  0.00    +0.122 HD
ATOM     30  C   LIG    1        5.642  -0.451   1.385  0.00  0.00    +0.081 C 
ATOM     31  C   LIG    1        4.122  -0.547   1.485  0.00  0.00    +0.022 C 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 7