REMARK  Name = BDB013731
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.567   0.383   2.018  0.00  0.00    +0.090 C 
ATOM      2  C   LIG    1       -1.316   0.281   3.349  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1   3
ATOM      3  N   LIG    1       -1.302  -0.360   0.992  0.00  0.00    -0.322 N 
ATOM      4  H   LIG    1       -0.733  -0.972   0.405  0.00  0.00    +0.148 HD
BRANCH   3   5
ATOM      5  C   LIG    1       -2.405   0.140   0.323  0.00  0.00    +0.166 A 
ATOM      6  C   LIG    1       -2.749  -0.510  -0.969  0.00  0.00    +0.117 A 
ATOM      7  C   LIG    1       -3.853  -0.072  -1.657  0.00  0.00    +0.070 A 
ATOM      8  C   LIG    1       -4.155  -0.689  -2.871  0.00  0.00    +0.017 A 
ATOM      9  C   LIG    1       -3.328  -1.710  -3.337  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1       -2.228  -2.076  -2.573  0.00  0.00    +0.111 A 
ATOM     11  C   LIG    1       -4.652   1.023  -1.103  0.00  0.00    +0.276 A 
ATOM     12  O   LIG    1       -5.659   1.384  -1.708  0.00  0.00    -0.266 OA
ATOM     13  N   LIG    1       -4.194   1.586   0.084  0.00  0.00    -0.230 N 
ATOM     14  C   LIG    1       -4.939   2.663   0.712  0.00  0.00    +0.176 C 
ATOM     15  N   LIG    1       -1.909  -1.501  -1.393  0.00  0.00    -0.251 NA
ATOM     16  N   LIG    1       -3.104   1.134   0.790  0.00  0.00    -0.151 NA
ENDBRANCH   3   5
ENDBRANCH   1   3
BRANCH   1  17
ATOM     17  C   LIG    1        0.955  -0.061   2.128  0.00  0.00    +0.106 C 
BRANCH  17  21
ATOM     18  C   LIG    1        3.499   0.752  -1.359  0.00  0.00    +0.059 A 
ATOM     19  C   LIG    1        2.161   1.158  -1.366  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1        1.332   0.906  -0.265  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1        1.812   0.227   0.866  0.00  0.00    -0.028 A 
ATOM     22  C   LIG    1        3.171  -0.152   0.864  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1        4.003   0.098  -0.233  0.00  0.00    +0.015 A 
BRANCH  18  24
ATOM     24  C   LIG    1        4.331   1.044  -2.558  0.00  0.00    +0.339 C 
ATOM     25  O   LIG    1        3.903   1.600  -3.557  0.00  0.00    -0.245 OA
BRANCH  24  27
ATOM     26  C   LIG    1        6.465   0.859  -3.488  0.00  0.00    +0.280 C 
ATOM     27  O   LIG    1        5.604   0.611  -2.376  0.00  0.00    -0.464 OA
ENDBRANCH  24  27
ENDBRANCH  18  24
ENDBRANCH  17  21
BRANCH  17  28
ATOM     28  N   LIG    1        1.278  -1.422   2.641  0.00  0.00    -0.300 NA
ATOM     29  C   LIG    1        1.286  -1.538   4.093  0.00  0.00    +0.105 C 
ATOM     30  C   LIG    1        0.577  -2.530   2.013  0.00  0.00    +0.105 C 
ENDBRANCH  17  28
ENDBRANCH   1  17
TORSDOF 7