REMARK  Name = BDB032122
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.359   0.040  -0.162  0.00  0.00    +0.052 A 
ATOM      2  C   LIG    1        0.266   0.036   1.079  0.00  0.00    +0.136 A 
ATOM      3  N   LIG    1        1.611  -0.049   1.253  0.00  0.00    -0.238 NA
ATOM      4  C   LIG    1        2.390  -0.127   0.163  0.00  0.00    +0.125 A 
ATOM      5  C   LIG    1        1.853  -0.129  -1.119  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1        0.469  -0.046  -1.280  0.00  0.00    +0.028 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -2.736   0.237   0.588  0.00  0.00    +0.222 C 
ATOM      8  N   LIG    1       -1.750   0.120  -0.379  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -2.052   0.116  -1.345  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -2.546   0.288   1.798  0.00  0.00    -0.275 OA
BRANCH   7  14
ATOM     11  C   LIG    1       -7.315   1.745   0.336  0.00  0.00    +0.239 C 
ATOM     12  N   LIG    1       -6.515   0.624   0.504  0.00  0.00    -0.297 N 
ATOM     13  C   LIG    1       -5.148   0.799   0.999  0.00  0.00    +0.120 C 
ATOM     14  C   LIG    1       -4.138   0.250  -0.013  0.00  0.00    +0.093 C 
ATOM     15  C   LIG    1       -4.526  -1.156  -0.520  0.00  0.00    +0.016 C 
ATOM     16  C   LIG    1       -5.743  -1.728   0.207  0.00  0.00    +0.020 C 
ATOM     17  C   LIG    1       -6.914  -0.745   0.180  0.00  0.00    +0.108 C 
ATOM     18  O   LIG    1       -6.901   2.892   0.489  0.00  0.00    -0.271 OA
BRANCH  11  20
ATOM     19  C   LIG    1       -9.507   2.528  -0.455  0.00  0.00    +0.013 C 
ATOM     20  C   LIG    1       -8.735   1.508  -0.055  0.00  0.00    +0.060 C 
ENDBRANCH  11  20
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   4  21
ATOM     21  N   LIG    1        3.779  -0.205   0.275  0.00  0.00    -0.265 N 
ATOM     22  H   LIG    1        4.331  -0.245  -0.573  0.00  0.00    +0.157 HD
ATOM     23  C   LIG    1        4.506  -0.237   1.446  0.00  0.00    +0.268 C 
ATOM     24  O   LIG    1        4.093  -0.225   2.598  0.00  0.00    -0.268 OA
BRANCH  23  25
ATOM     25  C   LIG    1        5.985  -0.305   1.197  0.00  0.00    +0.126 A 
ATOM     26  N   LIG    1        6.373  -0.307  -0.114  0.00  0.00    -0.242 NA
ATOM     27  C   LIG    1        7.704  -0.372  -0.358  0.00  0.00    +0.076 A 
ATOM     28  C   LIG    1        8.654  -0.431   0.660  0.00  0.00    +0.028 A 
ATOM     29  C   LIG    1        8.226  -0.428   1.987  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        6.867  -0.362   2.266  0.00  0.00    +0.033 A 
BRANCH  27  31
ATOM     31  C   LIG    1        8.063  -0.376  -1.761  0.00  0.00    +0.059 A 
ATOM     32  C   LIG    1        9.312  -0.588  -2.296  0.00  0.00    +0.240 A 
ATOM     33  O   LIG    1        9.251  -0.532  -3.651  0.00  0.00    -0.362 OA
ATOM     34  N   LIG    1        7.946  -0.280  -4.041  0.00  0.00    -0.086 NA
ATOM     35  C   LIG    1        7.253  -0.192  -2.904  0.00  0.00    +0.166 A 
ENDBRANCH  27  31
ENDBRANCH  23  25
ENDBRANCH   4  21
TORSDOF 6