REMARK  Name = BDB041078
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.199  -2.184   1.677  0.00  0.00    +0.178 A 
ATOM      2  C   LIG    1       -1.230  -1.167   1.661  0.00  0.00    +0.167 A 
ATOM      3  N   LIG    1       -1.571   0.074   1.234  0.00  0.00    -0.209 NA
ATOM      4  C   LIG    1       -2.836   0.318   0.852  0.00  0.00    +0.169 A 
ATOM      5  N   LIG    1       -3.816  -0.593   0.822  0.00  0.00    -0.232 NA
ATOM      6  C   LIG    1       -3.466  -1.823   1.241  0.00  0.00    +0.162 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.146   1.652   0.378  0.00  0.00    +0.102 A 
ATOM      8  C   LIG    1       -2.726   2.115  -0.869  0.00  0.00    +0.062 A 
ATOM      9  N   LIG    1       -3.036   3.368  -1.302  0.00  0.00    -0.239 NA
ATOM     10  C   LIG    1       -3.765   4.137  -0.485  0.00  0.00    +0.225 A 
ATOM     11  N   LIG    1       -4.209   3.796   0.728  0.00  0.00    -0.201 NA
ATOM     12  C   LIG    1       -3.883   2.552   1.134  0.00  0.00    +0.229 A 
BRANCH   8  13
ATOM     13  C   LIG    1       -1.885   1.264  -1.807  0.00  0.00    +0.039 C 
ATOM     14  C   LIG    1       -2.478   0.036  -2.462  0.00  0.00    +0.010 C 
ATOM     15  C   LIG    1       -2.182   1.250  -3.290  0.00  0.00    +0.010 C 
ENDBRANCH   8  13
BRANCH  12  16
ATOM     16  O   LIG    1       -4.283   2.151   2.401  0.00  0.00    -0.479 OA
ATOM     17  C   LIG    1       -5.013   3.143   3.112  0.00  0.00    +0.279 C 
ENDBRANCH  12  16
ENDBRANCH   4   7
BRANCH   1  19
ATOM     18  C   LIG    1       -2.895  -4.428   2.136  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -1.871  -3.442   2.103  0.00  0.00    -0.490 OA
ENDBRANCH   1  19
BRANCH   2  20
ATOM     20  N   LIG    1        0.096  -1.331   2.041  0.00  0.00    -0.311 N 
ATOM     21  C   LIG    1        0.652  -2.599   2.481  0.00  0.00    +0.131 C 
BRANCH  20  22
ATOM     22  C   LIG    1        0.974  -0.160   2.121  0.00  0.00    +0.141 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.057  -0.186   1.058  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1        1.749  -0.413  -0.287  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1        2.752  -0.402  -1.267  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1        4.095  -0.148  -0.937  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        4.389   0.080   0.419  0.00  0.00    +0.010 A 
ATOM     28  C   LIG    1        3.390   0.068   1.400  0.00  0.00    +0.006 A 
BRANCH  26  29
ATOM     29  C   LIG    1        5.168  -0.115  -1.953  0.00  0.00    +0.071 A 
ATOM     30  N   LIG    1        6.396  -0.519  -1.530  0.00  0.00    -0.255 NA
ATOM     31  C   LIG    1        7.413  -0.500  -2.420  0.00  0.00    +0.111 A 
ATOM     32  C   LIG    1        7.281  -0.086  -3.733  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1        6.029   0.333  -4.160  0.00  0.00    +0.004 A 
ATOM     34  C   LIG    1        4.960   0.319  -3.263  0.00  0.00    +0.028 A 
ENDBRANCH  26  29
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   2  20
TORSDOF 8