REMARK  Name = BDB028529
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.588  -2.076   2.480  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1       -1.411  -1.404   1.467  0.00  0.00    +0.302 C 
ATOM      3  N   LIG    1       -2.406  -1.164   0.539  0.00  0.00    -0.284 N 
ATOM      4  C   LIG    1       -3.765  -1.577   0.895  0.00  0.00    +0.128 C 
ATOM      5  C   LIG    1       -4.872  -0.988  -0.027  0.00  0.00    +0.074 C 
ATOM      6  C   LIG    1       -4.511  -1.477  -1.445  0.00  0.00    +0.022 C 
ATOM      7  C   LIG    1       -3.080  -1.128  -1.868  0.00  0.00    +0.021 C 
ATOM      8  C   LIG    1       -2.212  -0.526  -0.763  0.00  0.00    +0.109 C 
ATOM      9  N   LIG    1       -0.199  -0.839   1.175  0.00  0.00    -0.297 N 
ATOM     10  H   LIG    1       -0.258   0.063   0.722  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   5  11
ATOM     11  N   LIG    1       -5.004   0.489   0.073  0.00  0.00    -0.294 NA
ATOM     12  C   LIG    1       -5.444   0.956   1.410  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1       -6.909   1.425   1.455  0.00  0.00    +0.175 C 
ATOM     14  O   LIG    1       -7.189   2.499   0.551  0.00  0.00    -0.377 OA
ATOM     15  C   LIG    1       -6.345   2.489  -0.606  0.00  0.00    +0.175 C 
ATOM     16  C   LIG    1       -5.864   1.077  -0.978  0.00  0.00    +0.113 C 
ENDBRANCH   5  11
BRANCH   9  17
ATOM     17  C   LIG    1        0.908  -0.977   2.105  0.00  0.00    +0.138 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.200  -0.348   1.559  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  O   LIG    1        1.939   1.035   1.267  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1        1.748   1.475   2.114  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        2.691  -1.085   0.287  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1        4.065  -0.829  -0.185  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        4.291   0.572  -0.573  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        5.699   0.820  -1.081  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        6.753  -0.045  -0.734  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1        8.053   0.225  -1.182  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        8.311   1.361  -1.948  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        7.274   2.231  -2.277  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.469  -1.296   0.060  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1        5.974   1.965  -1.844  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        5.100  -1.264   0.757  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   9  17
TORSDOF 6