REMARK  Name = BDB056473
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.327  -0.340  -0.480  0.00  0.00    +0.080 C 
ATOM      2  C   LIG    1        0.568   0.432  -1.463  0.00  0.00    +0.023 C 
ATOM      3  C   LIG    1        1.874   0.874  -0.802  0.00  0.00    +0.010 C 
ATOM      4  C   LIG    1        2.627  -0.323  -0.195  0.00  0.00    +0.021 C 
ATOM      5  C   LIG    1        1.732  -1.090   0.793  0.00  0.00    +0.010 C 
ATOM      6  C   LIG    1        0.422  -1.530   0.139  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -4.782  -2.384  -0.697  0.00  0.00    +0.058 C 
ATOM      8  C   LIG    1       -3.816  -1.395  -1.348  0.00  0.00    +0.132 C 
ATOM      9  C   LIG    1       -2.829  -0.797  -0.330  0.00  0.00    +0.153 C 
ATOM     10  N   LIG    1       -1.601  -0.734  -1.093  0.00  0.00    -0.253 N 
ATOM     11  C   LIG    1       -1.678  -1.653  -2.124  0.00  0.00    +0.404 C 
ATOM     12  O   LIG    1       -0.759  -2.043  -2.824  0.00  0.00    -0.226 OA
ATOM     13  O   LIG    1       -2.954  -2.134  -2.239  0.00  0.00    -0.442 OA
ATOM     14  C   LIG    1       -4.589  -0.392  -2.211  0.00  0.00    +0.058 C 
BRANCH   9  15
ATOM     15  C   LIG    1       -3.255   0.495   0.336  0.00  0.00    -0.023 A 
ATOM     16  C   LIG    1       -3.037   1.750  -0.257  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1       -3.454   2.921   0.376  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -4.099   2.857   1.608  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -4.328   1.621   2.208  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -3.911   0.448   1.576  0.00  0.00    +0.005 A 
ENDBRANCH   9  15
ENDBRANCH   1  10
BRANCH   4  21
ATOM     21  C   LIG    1        3.933   0.102   0.442  0.00  0.00    -0.025 A 
ATOM     22  C   LIG    1        5.155  -0.366  -0.051  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1        6.355   0.039   0.545  0.00  0.00    +0.091 A 
ATOM     24  C   LIG    1        6.301   0.903   1.637  0.00  0.00    +0.134 A 
ATOM     25  N   LIG    1        5.136   1.371   2.126  0.00  0.00    -0.239 NA
ATOM     26  C   LIG    1        3.990   0.968   1.528  0.00  0.00    +0.116 A 
BRANCH  24  27
ATOM     27  N   LIG    1        7.437   1.391   2.277  0.00  0.00    -0.342 N 
ATOM     28  H   LIG    1        7.123   1.964   3.057  0.00  0.00    +0.144 HD
ATOM     29  H   LIG    1        8.073   0.660   2.576  0.00  0.00    +0.144 HD
ENDBRANCH  24  27
BRANCH  23  30
ATOM     30  C   LIG    1        7.599  -0.443   0.032  0.00  0.00    +0.103 C 
ATOM     31  N   LIG    1        8.596  -0.869  -0.385  0.00  0.00    -0.191 NA
ENDBRANCH  23  30
ENDBRANCH   4  21
TORSDOF 5