REMARK  Name = BDB020991
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.513   4.616  -1.770  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1       -4.036   3.370  -1.220  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1       -3.176   3.030  -1.623  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1       -4.938   2.375  -0.932  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1       -4.373   1.209  -0.428  0.00  0.00    -0.278 N 
ATOM      6  C   LIG    1       -3.109   1.241   0.315  0.00  0.00    +0.164 C 
ATOM      7  C   LIG    1       -2.613  -0.129   0.603  0.00  0.00    +0.064 A 
ATOM      8  N   LIG    1       -3.352  -1.258   0.354  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1       -2.607  -2.348   0.697  0.00  0.00    +0.114 A 
ATOM     10  N   LIG    1       -1.437  -1.984   1.173  0.00  0.00    -0.232 NA
ATOM     11  C   LIG    1       -4.672  -1.239  -0.234  0.00  0.00    +0.142 C 
ATOM     12  C   LIG    1       -1.428  -0.611   1.125  0.00  0.00    +0.094 A 
ATOM     13  C   LIG    1       -5.306   0.136  -0.066  0.00  0.00    +0.131 C 
ATOM     14  O   LIG    1       -6.145   2.513  -1.110  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  12  15
ATOM     15  C   LIG    1       -0.293   0.190   1.545  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1        0.984   0.040   0.938  0.00  0.00    +0.009 A 
ATOM     17  C   LIG    1        2.049   0.857   1.371  0.00  0.00    -0.014 A 
ATOM     18  C   LIG    1        3.310   0.727   0.771  0.00  0.00    +0.032 A 
ATOM     19  C   LIG    1        3.501  -0.201  -0.251  0.00  0.00    +0.045 A 
ATOM     20  N   LIG    1        2.500  -0.994  -0.688  0.00  0.00    -0.259 NA
ATOM     21  C   LIG    1        1.836   1.791   2.398  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1        0.585   1.923   2.998  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        1.289  -0.866  -0.089  0.00  0.00    +0.120 A 
ATOM     24  C   LIG    1       -0.475   1.126   2.574  0.00  0.00    +0.011 A 
BRANCH  19  25
ATOM     25  C   LIG    1        4.842  -0.378  -0.931  0.00  0.00    +0.042 C 
ATOM     26  C   LIG    1        5.344   0.907  -1.593  0.00  0.00    +0.038 C 
ATOM     27  C   LIG    1        6.654   0.649  -2.337  0.00  0.00    +0.160 C 
ATOM     28  O   LIG    1        7.429  -0.414  -1.781  0.00  0.00    -0.380 OA
ATOM     29  C   LIG    1        7.312  -0.509  -0.367  0.00  0.00    +0.160 C 
ATOM     30  C   LIG    1        5.906  -0.954   0.019  0.00  0.00    +0.038 C 
ENDBRANCH  19  25
ENDBRANCH  12  15
BRANCH   9  31
ATOM     31  C   LIG    1       -3.043  -3.832   0.555  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1       -3.161  -4.432  -0.822  0.00  0.00    +0.012 C 
ATOM     33  C   LIG    1       -2.031  -4.840   0.077  0.00  0.00    +0.012 C 
ENDBRANCH   9  31
TORSDOF 3