REMARK  Name = BDB058601
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.172   0.533  -1.063  0.00  0.00    -0.006 A 
ATOM      2  C   LIG    1        2.241   0.083  -0.315  0.00  0.00    +0.120 A 
ATOM      3  N   LIG    1        3.394   0.678  -0.797  0.00  0.00    -0.220 N 
ATOM      4  N   LIG    1        3.084   1.504  -1.845  0.00  0.00    -0.173 NA
ATOM      5  C   LIG    1        1.765   1.407  -1.991  0.00  0.00    +0.138 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        4.767   0.550  -0.372  0.00  0.00    +0.180 A 
ATOM      7  C   LIG    1        5.155  -0.274   0.694  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1        6.530  -0.290   0.985  0.00  0.00    +0.070 A 
ATOM      9  C   LIG    1        7.001  -1.138   2.096  0.00  0.00    +0.259 A 
ATOM     10  N   LIG    1        6.036  -1.846   2.756  0.00  0.00    -0.313 N 
ATOM     11  H   LIG    1        6.348  -2.430   3.519  0.00  0.00    +0.170 HD
ATOM     12  C   LIG    1        4.721  -1.780   2.417  0.00  0.00    +0.200 A 
ATOM     13  O   LIG    1        8.183  -1.205   2.411  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1        7.460   0.461   0.268  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1        6.982   1.237  -0.758  0.00  0.00    +0.114 A 
ATOM     16  N   LIG    1        4.260  -1.057   1.457  0.00  0.00    -0.233 NA
ATOM     17  N   LIG    1        5.678   1.294  -1.085  0.00  0.00    -0.234 NA
ENDBRANCH   3   6
BRANCH   1  21
ATOM     18  N   LIG    1       -3.011  -0.297  -1.142  0.00  0.00    -0.298 NA
ATOM     19  C   LIG    1       -2.630   0.964  -0.479  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -1.176   1.386  -0.734  0.00  0.00    +0.023 C 
ATOM     21  C   LIG    1       -0.273   0.163  -0.909  0.00  0.00    +0.024 C 
ATOM     22  C   LIG    1       -0.775  -0.710  -2.075  0.00  0.00    +0.023 C 
ATOM     23  C   LIG    1       -2.262  -0.500  -2.381  0.00  0.00    +0.085 C 
BRANCH  18  24
ATOM     24  C   LIG    1       -4.460  -0.385  -1.373  0.00  0.00    +0.122 C 
BRANCH  24  29
ATOM     25  C   LIG    1       -7.432   0.471   2.588  0.00  0.00    +0.172 C 
ATOM     26  N   LIG    1       -6.496  -0.102   1.653  0.00  0.00    -0.274 N 
ATOM     27  N   LIG    1       -5.928  -1.288   1.931  0.00  0.00    -0.180 NA
ATOM     28  C   LIG    1       -5.131  -1.507   0.882  0.00  0.00    +0.139 A 
ATOM     29  C   LIG    1       -5.192  -0.470  -0.078  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -6.095   0.426   0.462  0.00  0.00    +0.112 A 
ENDBRANCH  24  29
ENDBRANCH  18  24
ENDBRANCH   1  21
TORSDOF 4