REMARK  Name = BDB031536
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.652   2.353   0.965  0.00  0.00    -0.296 NA
ATOM      2  C   LIG    1        0.278   1.208   0.883  0.00  0.00    +0.109 C 
ATOM      3  C   LIG    1        1.591   1.756   0.306  0.00  0.00    +0.102 C 
ATOM      4  C   LIG    1        1.514   3.272   0.515  0.00  0.00    +0.042 C 
ATOM      5  C   LIG    1        0.224   3.489   1.294  0.00  0.00    +0.087 C 
ENDROOT
BRANCH   3   6
ATOM      6  N   LIG    1        2.773   1.125   0.872  0.00  0.00    -0.341 N 
ATOM      7  C   LIG    1        3.640   0.288   0.196  0.00  0.00    +0.068 A 
ATOM      8  C   LIG    1        4.630  -0.087   1.107  0.00  0.00    +0.089 A 
ATOM      9  N   LIG    1        5.665  -0.906   0.802  0.00  0.00    -0.241 NA
ATOM     10  C   LIG    1        5.668  -1.352  -0.483  0.00  0.00    +0.126 A 
ATOM     11  C   LIG    1        4.724  -1.032  -1.452  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1        4.340   0.529   2.343  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1        3.668  -0.187  -1.121  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        3.189   1.266   2.176  0.00  0.00    +0.089 A 
BRANCH  10  15
ATOM     15  C   LIG    1        6.808  -2.260  -0.847  0.00  0.00    +0.262 C 
ATOM     16  N   LIG    1        7.660  -2.550   0.198  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1        7.485  -2.052   1.067  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1        8.877  -3.293   0.018  0.00  0.00    +0.128 C 
ATOM     19  O   LIG    1        6.951  -2.684  -1.988  0.00  0.00    -0.269 OA
ENDBRANCH  10  15
ENDBRANCH   3   6
BRANCH   1  20
ATOM     20  C   LIG    1       -1.387   2.583  -0.292  0.00  0.00    +0.121 C 
BRANCH  20  30
ATOM     21  C   LIG    1       -6.254  -1.744  -0.577  0.00  0.00    +0.019 A 
ATOM     22  C   LIG    1       -6.183  -1.211   0.825  0.00  0.00    +0.252 A 
ATOM     23  O   LIG    1       -6.951  -1.590   1.702  0.00  0.00    -0.268 OA
ATOM     24  N   LIG    1       -5.215  -0.275   1.087  0.00  0.00    -0.321 N 
ATOM     25  H   LIG    1       -5.180   0.075   2.035  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1       -4.306   0.178   0.125  0.00  0.00    +0.068 A 
ATOM     27  C   LIG    1       -4.359  -0.324  -1.173  0.00  0.00    +0.088 A 
ATOM     28  N   LIG    1       -3.523   0.059  -2.161  0.00  0.00    -0.253 NA
ATOM     29  C   LIG    1       -2.591   0.983  -1.830  0.00  0.00    +0.116 A 
ATOM     30  C   LIG    1       -2.443   1.538  -0.559  0.00  0.00    -0.013 A 
ATOM     31  C   LIG    1       -3.340   1.125   0.436  0.00  0.00    +0.034 A 
ATOM     32  C   LIG    1       -5.374  -1.320  -1.501  0.00  0.00    +0.038 A 
BRANCH  21  34
ATOM     33  C   LIG    1       -8.686  -2.160  -1.050  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1       -7.307  -2.778  -0.866  0.00  0.00    +0.037 C 
ENDBRANCH  21  34
ENDBRANCH  20  30
ENDBRANCH   1  20
TORSDOF 5