REMARK  Name = BDB008612
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.952  -1.531  -0.173  0.00  0.00    -0.263 N 
ATOM      2  C   LIG    1        2.306  -2.575   0.641  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1        1.113  -2.999   1.224  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        1.139  -4.077   2.130  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1        2.362  -4.693   2.420  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        3.542  -4.250   1.826  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        0.110  -2.135   0.695  0.00  0.00    +0.091 A 
ATOM      8  C   LIG    1        3.539  -3.180   0.924  0.00  0.00    +0.028 A 
ATOM      9  N   LIG    1        0.642  -1.237  -0.149  0.00  0.00    -0.173 NA
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1       -1.371  -2.139   1.027  0.00  0.00    +0.124 C 
ATOM     11  C   LIG    1       -2.131  -3.253   0.302  0.00  0.00    +0.035 C 
BRANCH  10  12
ATOM     12  N   LIG    1       -1.940  -0.782   0.869  0.00  0.00    -0.288 N 
ATOM     13  C   LIG    1       -2.264  -0.303  -0.413  0.00  0.00    +0.246 C 
ATOM     14  O   LIG    1       -2.290  -1.023  -1.415  0.00  0.00    -0.273 OA
BRANCH  13  15
ATOM     15  C   LIG    1       -2.585   1.204  -0.529  0.00  0.00    +0.217 C 
ATOM     16  O   LIG    1       -3.779   1.553   0.191  0.00  0.00    -0.365 OA
ATOM     17  C   LIG    1       -4.049   2.955   0.080  0.00  0.00    +0.176 C 
ATOM     18  C   LIG    1       -4.201   3.385  -1.386  0.00  0.00    +0.109 C 
ATOM     19  N   LIG    1       -3.011   3.052  -2.191  0.00  0.00    -0.311 NA
ATOM     20  H   LIG    1       -2.214   3.574  -1.825  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1       -2.730   1.605  -2.017  0.00  0.00    +0.122 C 
ENDBRANCH  13  15
BRANCH  12  22
ATOM     22  C   LIG    1       -2.037   0.047   2.056  0.00  0.00    +0.077 C 
ATOM     23  C   LIG    1       -1.106  -0.046   3.243  0.00  0.00    +0.024 C 
ATOM     24  C   LIG    1       -1.030   1.137   2.334  0.00  0.00    +0.024 C 
ENDBRANCH  12  22
ENDBRANCH  10  12
ENDBRANCH   7  10
BRANCH   1  25
ATOM     25  C   LIG    1        2.814  -0.734  -1.029  0.00  0.00    +0.144 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.227   0.575  -0.359  0.00  0.00    +0.025 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.039   1.494  -1.278  0.00  0.00    +0.030 C 
BRANCH  27  28
ATOM     28  C   LIG    1        3.270   1.999  -2.498  0.00  0.00    +0.159 C 
BRANCH  28  30
ATOM     29  C   LIG    1        1.255   3.022  -3.167  0.00  0.00    +0.193 C 
ATOM     30  O   LIG    1        2.074   2.644  -2.068  0.00  0.00    -0.383 OA
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 9