REMARK  Name = BDB021630
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.963  -0.186  -0.134  0.00  0.00    +0.029 A 
ATOM      2  C   LIG    1        4.178   0.330  -1.164  0.00  0.00    +0.063 A 
ATOM      3  C   LIG    1        2.884   0.839  -0.929  0.00  0.00    +0.134 A 
ATOM      4  O   LIG    1        2.319   1.275  -2.092  0.00  0.00    -0.490 OA
ATOM      5  C   LIG    1        0.972   1.717  -2.088  0.00  0.00    +0.248 C 
ATOM      6  C   LIG    1        0.768   2.862  -1.115  0.00  0.00    +0.149 C 
ATOM      7  N   LIG    1        0.367   2.348   0.184  0.00  0.00    -0.292 N 
ATOM      8  C   LIG    1        1.045   1.336   0.850  0.00  0.00    +0.250 C 
ATOM      9  O   LIG    1        0.576   0.834   1.873  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        2.375   0.840   0.377  0.00  0.00    +0.079 A 
ATOM     11  C   LIG    1        3.185   0.306   1.407  0.00  0.00    +0.018 A 
ATOM     12  C   LIG    1        4.463  -0.200   1.160  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        7.367  -1.124  -0.645  0.00  0.00    -0.066 C 
ATOM     14  C   LIG    1        6.269  -0.696  -0.409  0.00  0.00    -0.064 C 
BRANCH  13  16
ATOM     15  C   LIG    1        9.496  -1.895   0.340  0.00  0.00    +0.052 C 
ATOM     16  C   LIG    1        8.708  -1.643  -0.936  0.00  0.00    +0.186 C 
BRANCH  16  17
ATOM     17  O   LIG    1        9.416  -0.704  -1.738  0.00  0.00    -0.380 OA
ATOM     18  H   LIG    1        9.353   0.156  -1.289  0.00  0.00    +0.211 HD
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   1  14
BRANCH   7  19
ATOM     19  C   LIG    1       -0.875   2.874   0.763  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.144   2.194   0.223  0.00  0.00    +0.146 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -3.277   3.033   0.501  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1       -4.038   2.414   0.527  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -2.393   0.803   0.847  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -3.746   0.297   0.502  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -4.104  -0.801   1.430  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -5.398  -1.500   1.074  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -5.921  -1.433  -0.229  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -7.105  -2.115  -0.542  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -7.753  -2.881   0.426  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -7.227  -2.967   1.713  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.242  -0.577  -1.266  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -6.054  -2.283   2.036  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -3.801  -0.213  -0.881  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   7  19
TORSDOF 8