REMARK  Name = BDB003770
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.625  -0.236  -0.403  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -2.528   0.671  -0.012  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -3.792   0.626  -0.514  0.00  0.00    +0.163 A 
ATOM      4  N   LIG    1       -4.708   1.612  -0.064  0.00  0.00    -0.326 N 
ATOM      5  C   LIG    1       -5.931   1.216   0.514  0.00  0.00    +0.056 A 
ATOM      6  C   LIG    1       -6.844   0.434  -0.204  0.00  0.00    +0.063 A 
ATOM      7  C   LIG    1       -6.659   0.077  -1.630  0.00  0.00    +0.261 A 
ATOM      8  N   LIG    1       -5.432  -0.370  -2.132  0.00  0.00    -0.307 N 
ATOM      9  C   LIG    1       -5.465  -0.964  -3.469  0.00  0.00    +0.152 C 
ATOM     10  O   LIG    1       -7.681   0.085  -2.325  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1       -8.062   0.032   0.383  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -8.378   0.383   1.691  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -7.484   1.152   2.420  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -6.280   1.563   1.837  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1       -4.041   2.780   0.520  0.00  0.00    +0.151 C 
ATOM     16  C   LIG    1       -4.168  -0.325  -1.460  0.00  0.00    +0.106 A 
ATOM     17  C   LIG    1       -3.148  -1.202  -1.801  0.00  0.00    +0.144 A 
ATOM     18  N   LIG    1       -1.899  -1.186  -1.295  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   1  19
ATOM     19  N   LIG    1       -0.367  -0.105   0.178  0.00  0.00    -0.284 N 
ATOM     20  H   LIG    1       -0.394   0.656   0.842  0.00  0.00    +0.155 HD
BRANCH  19  23
ATOM     21  C   LIG    1        3.143  -1.094   0.801  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1        1.933  -0.390   0.827  0.00  0.00    +0.036 A 
ATOM     23  C   LIG    1        0.802  -0.873   0.150  0.00  0.00    +0.034 A 
ATOM     24  C   LIG    1        0.931  -2.076  -0.555  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1        2.131  -2.798  -0.558  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1        3.239  -2.314   0.130  0.00  0.00    +0.013 A 
BRANCH  21  32
ATOM     27  C   LIG    1        8.234   1.607  -0.488  0.00  0.00    +0.105 C 
ATOM     28  N   LIG    1        8.156   0.158  -0.314  0.00  0.00    -0.302 NA
ATOM     29  C   LIG    1        8.015  -0.214   1.109  0.00  0.00    +0.103 C 
ATOM     30  C   LIG    1        6.635   0.078   1.727  0.00  0.00    +0.123 C 
ATOM     31  N   LIG    1        5.532  -0.442   0.915  0.00  0.00    -0.295 N 
ATOM     32  C   LIG    1        4.296  -0.556   1.558  0.00  0.00    +0.247 C 
ATOM     33  O   LIG    1        4.111  -0.244   2.732  0.00  0.00    -0.270 OA
ATOM     34  C   LIG    1        5.635  -0.144  -0.520  0.00  0.00    +0.123 C 
ATOM     35  C   LIG    1        7.041  -0.429  -1.083  0.00  0.00    +0.103 C 
ENDBRANCH  21  32
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 3