REMARK  Name = BDB003832
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.549   0.509   0.277  0.00  0.00    +0.129 A 
ATOM      2  N   LIG    1        3.969  -0.756  -0.101  0.00  0.00    -0.323 N 
ATOM      3  C   LIG    1        5.302  -1.134  -0.521  0.00  0.00    +0.151 C 
ATOM      4  C   LIG    1        2.924  -1.649  -0.016  0.00  0.00    +0.146 A 
ATOM      5  C   LIG    1        1.787  -0.966   0.391  0.00  0.00    +0.060 A 
ATOM      6  C   LIG    1        0.590  -1.709   0.529  0.00  0.00    +0.134 A 
ATOM      7  N   LIG    1        0.670  -3.048   0.293  0.00  0.00    -0.220 NA
ATOM      8  C   LIG    1        1.840  -3.583  -0.097  0.00  0.00    +0.225 A 
ATOM      9  N   LIG    1        3.010  -2.962  -0.285  0.00  0.00    -0.218 NA
ATOM     10  C   LIG    1        2.198   0.380   0.588  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   6  11
ATOM     11  N   LIG    1       -0.629  -1.180   0.929  0.00  0.00    -0.314 N 
ATOM     12  C   LIG    1       -1.036   0.157   0.484  0.00  0.00    +0.122 C 
ATOM     13  C   LIG    1       -2.585   0.098   0.363  0.00  0.00    +0.064 C 
ATOM     14  C   LIG    1       -2.993  -0.115  -1.102  0.00  0.00    +0.227 C 
ATOM     15  O   LIG    1       -2.219  -0.038  -2.051  0.00  0.00    -0.275 OA
ATOM     16  N   LIG    1       -4.303  -0.459  -1.320  0.00  0.00    -0.256 N 
ATOM     17  H   LIG    1       -4.370  -0.954  -2.206  0.00  0.00    +0.157 HD
ATOM     18  C   LIG    1       -5.278   0.494  -1.419  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1       -6.093   0.416  -2.340  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1       -5.278   1.680  -0.487  0.00  0.00    +0.096 C 
ATOM     21  C   LIG    1       -4.734   1.420   0.908  0.00  0.00    +0.010 C 
ATOM     22  C   LIG    1       -3.208   1.382   0.930  0.00  0.00    +0.018 C 
ATOM     23  C   LIG    1       -2.937  -1.141   1.213  0.00  0.00    +0.036 C 
ATOM     24  C   LIG    1       -1.768  -2.086   0.960  0.00  0.00    +0.107 C 
ENDBRANCH   6  11
BRANCH   1  25
ATOM     25  C   LIG    1        4.303   1.746   0.357  0.00  0.00    +0.356 C 
ATOM     26  O   LIG    1        3.829   2.825   0.692  0.00  0.00    -0.243 OA
BRANCH  25  28
ATOM     27  C   LIG    1        6.401   2.743   0.077  0.00  0.00    +0.280 C 
ATOM     28  O   LIG    1        5.606   1.558   0.015  0.00  0.00    -0.463 OA
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 3