REMARK  Name = BDB040771
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.135   0.972   1.628  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        0.175   0.452   1.389  0.00  0.00    +0.129 C 
ATOM      3  C   LIG    1        0.402   0.479   2.909  0.00  0.00    +0.111 C 
ATOM      4  C   LIG    1       -0.863   1.350   2.977  0.00  0.00    +0.129 C 
ENDROOT
BRANCH   1  11
ATOM      5  C   LIG    1       -3.561  -1.086  -2.132  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -3.633  -0.310  -0.841  0.00  0.00    -0.045 A 
ATOM      7  C   LIG    1       -4.864   0.075  -0.245  0.00  0.00    -0.030 A 
ATOM      8  C   LIG    1       -4.814   0.839   0.947  0.00  0.00    -0.045 A 
ATOM      9  C   LIG    1       -6.020   1.354   1.692  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1       -3.566   1.117   1.547  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1       -2.356   0.696   0.995  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -2.411   0.002  -0.212  0.00  0.00    +0.026 A 
BRANCH   7  13
ATOM     13  C   LIG    1       -6.179  -0.306  -0.933  0.00  0.00    +0.106 C 
ATOM     14  C   LIG    1       -7.247  -0.901  -0.016  0.00  0.00    +0.227 C 
ATOM     15  O   LIG    1       -7.003  -1.596   0.968  0.00  0.00    -0.275 OA
ATOM     16  N   LIG    1       -8.555  -0.682  -0.388  0.00  0.00    -0.256 N 
ATOM     17  H   LIG    1       -9.256  -1.082   0.221  0.00  0.00    +0.157 HD
ATOM     18  C   LIG    1       -9.026  -0.065  -1.518  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1      -10.229  -0.005  -1.755  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1       -7.990   0.459  -2.479  0.00  0.00    +0.097 C 
ATOM     21  C   LIG    1       -6.724   0.873  -1.749  0.00  0.00    +0.026 C 
ENDBRANCH   7  13
ENDBRANCH   1  11
BRANCH   3  22
ATOM     22  N   LIG    1        1.639   1.132   3.382  0.00  0.00    -0.275 N 
ATOM     23  H   LIG    1        1.609   1.907   4.031  0.00  0.00    +0.152 HD
ATOM     24  C   LIG    1        2.903   0.666   3.163  0.00  0.00    +0.401 C 
ATOM     25  O   LIG    1        3.886   1.174   3.687  0.00  0.00    -0.226 OA
BRANCH  24  26
ATOM     26  O   LIG    1        2.934  -0.390   2.312  0.00  0.00    -0.444 OA
BRANCH  26  27
ATOM     27  C   LIG    1        4.255  -0.915   2.049  0.00  0.00    +0.213 C 
ATOM     28  C   LIG    1        5.260   0.006   1.340  0.00  0.00    +0.155 C 
ATOM     29  N   LIG    1        5.647  -1.159   0.519  0.00  0.00    -0.278 N 
ATOM     30  C   LIG    1        6.090  -1.009  -0.787  0.00  0.00    +0.305 C 
ATOM     31  N   LIG    1        7.358  -0.440  -0.932  0.00  0.00    -0.285 N 
ATOM     32  C   LIG    1        8.204  -0.067   0.195  0.00  0.00    +0.134 C 
ATOM     33  O   LIG    1        5.401  -1.367  -1.741  0.00  0.00    -0.252 OA
ATOM     34  C   LIG    1        4.368  -1.830   0.823  0.00  0.00    +0.155 C 
BRANCH  31  35
ATOM     35  C   LIG    1        7.808  -0.035  -2.245  0.00  0.00    +0.077 C 
ATOM     36  C   LIG    1        7.929  -1.019  -3.381  0.00  0.00    +0.024 C 
ATOM     37  C   LIG    1        9.164  -0.425  -2.781  0.00  0.00    +0.024 C 
ENDBRANCH  31  35
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   3  22
TORSDOF 6