REMARK  Name = BDB021796
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.350  -0.126  -1.837  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        1.588   0.523  -1.989  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        2.135   1.021  -0.831  0.00  0.00    -0.266 N 
ATOM      4  H   LIG    1        1.589   0.998   0.015  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        2.121   0.626  -3.092  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1       -3.074  -0.188   0.727  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1       -2.562   0.928  -0.073  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1       -1.038   1.027  -0.106  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1       -0.365  -0.290  -0.545  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1       -1.329  -1.483  -0.443  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1       -2.184  -1.346   0.817  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1       -3.761   0.207   1.967  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1       -2.818   0.778   3.037  0.00  0.00    +0.024 C 
BRANCH  12  14
ATOM     14  C   LIG    1       -4.609  -0.931   2.582  0.00  0.00    +0.018 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -6.540  -2.526   2.305  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -5.687  -1.463   1.631  0.00  0.00    -0.002 C 
ENDBRANCH  14  16
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  C   LIG    1        3.367   1.692  -0.648  0.00  0.00    +0.077 A 
ATOM     18  C   LIG    1        3.643   2.158   0.654  0.00  0.00    +0.145 A 
ATOM     19  C   LIG    1        4.840   2.835   0.909  0.00  0.00    +0.093 A 
ATOM     20  C   LIG    1        5.766   3.056  -0.114  0.00  0.00    +0.124 A 
ATOM     21  C   LIG    1        5.494   2.587  -1.397  0.00  0.00    +0.047 A 
ATOM     22  C   LIG    1        4.300   1.906  -1.663  0.00  0.00    +0.030 A 
BRANCH  18  23
ATOM     23  O   LIG    1        2.667   1.900   1.594  0.00  0.00    -0.493 OA
ATOM     24  C   LIG    1        2.944   2.293   2.932  0.00  0.00    +0.277 C 
ENDBRANCH  18  23
BRANCH  20  25
ATOM     25  O   LIG    1        6.891   3.733   0.273  0.00  0.00    -0.495 OA
ATOM     26  C   LIG    1        7.819   4.070  -0.750  0.00  0.00    +0.277 C 
ENDBRANCH  20  25
ENDBRANCH   3  17
BRANCH   1  27
ATOM     27  C   LIG    1       -0.340  -0.493  -3.082  0.00  0.00    +0.144 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -0.232  -1.961  -3.442  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1        0.995  -2.639  -3.389  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        1.082  -3.985  -3.750  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -0.052  -4.667  -4.182  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -1.274  -4.002  -4.259  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -1.362  -2.657  -3.898  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 9