REMARK  Name = BDB038672
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.934  -1.336  -0.443  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1       -0.771  -0.818   0.161  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1        0.498  -1.368  -0.069  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1        0.580  -2.487  -0.910  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -0.561  -3.021  -1.515  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.808  -2.448  -1.284  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1        1.668  -0.820   0.523  0.00  0.00    -0.263 N 
ATOM      8  C   LIG    1        1.748   0.354   1.282  0.00  0.00    +0.251 C 
ATOM      9  O   LIG    1        0.896   1.173   1.577  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        3.147   0.499   1.702  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        3.875  -0.560   1.178  0.00  0.00    -0.018 A 
ATOM     12  C   LIG    1        5.233  -0.659   1.417  0.00  0.00    +0.006 A 
ATOM     13  C   LIG    1        5.839   0.333   2.200  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1        5.095   1.405   2.747  0.00  0.00    -0.021 A 
ATOM     15  C   LIG    1        3.721   1.492   2.478  0.00  0.00    +0.019 A 
ATOM     16  C   LIG    1        2.977  -1.450   0.390  0.00  0.00    +0.149 C 
BRANCH  14  17
ATOM     17  C   LIG    1        5.766   2.485   3.557  0.00  0.00    +0.191 C 
BRANCH  17  18
ATOM     18  O   LIG    1        6.857   1.955   4.298  0.00  0.00    -0.390 OA
ATOM     19  H   LIG    1        7.201   2.682   4.844  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH   3   7
BRANCH   1  21
ATOM     20  C   LIG    1       -4.030  -0.118  -1.198  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1       -3.251  -0.725  -0.185  0.00  0.00    -0.007 A 
ATOM     22  C   LIG    1       -3.773  -0.767   1.123  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1       -5.034  -0.245   1.421  0.00  0.00    +0.019 A 
ATOM     24  C   LIG    1       -5.809   0.327   0.411  0.00  0.00    +0.052 A 
ATOM     25  C   LIG    1       -5.308   0.386  -0.892  0.00  0.00    +0.031 A 
BRANCH  20  28
ATOM     26  C   LIG    1       -1.642   1.614  -2.291  0.00  0.00    +0.152 C 
ATOM     27  N   LIG    1       -2.514   0.745  -3.035  0.00  0.00    -0.317 N 
ATOM     28  C   LIG    1       -3.575  -0.001  -2.582  0.00  0.00    +0.164 A 
ATOM     29  N   LIG    1       -4.152  -0.567  -3.628  0.00  0.00    -0.129 NA
ATOM     30  N   LIG    1       -3.443  -0.230  -4.755  0.00  0.00    -0.138 NA
ATOM     31  C   LIG    1       -2.462   0.557  -4.383  0.00  0.00    +0.225 A 
ENDBRANCH  20  28
BRANCH  24  32
ATOM     32  C   LIG    1       -7.108   0.852   0.711  0.00  0.00    +0.099 C 
ATOM     33  N   LIG    1       -8.156   1.280   0.966  0.00  0.00    -0.191 NA
ENDBRANCH  24  32
ENDBRANCH   1  21
TORSDOF 6