REMARK  Name = BDB029692
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.543  -2.206  -0.812  0.00  0.00    -0.292 NA
ATOM      2  C   LIG    1       -1.188  -1.647   0.505  0.00  0.00    +0.079 C 
ATOM      3  C   LIG    1        0.138  -0.922   0.643  0.00  0.00    +0.092 C 
ATOM      4  N   LIG    1        1.039  -0.738  -0.521  0.00  0.00    -0.323 N 
ATOM      5  C   LIG    1        0.568  -1.319  -1.799  0.00  0.00    +0.121 C 
ATOM      6  C   LIG    1       -0.059  -2.267   1.279  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1       -0.974  -1.391  -1.895  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1        2.432  -0.606  -0.325  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1        3.377  -0.702  -1.355  0.00  0.00    +0.134 A 
ATOM     10  N   LIG    1        4.722  -0.569  -1.220  0.00  0.00    -0.249 NA
ATOM     11  C   LIG    1        5.183  -0.319   0.025  0.00  0.00    +0.125 A 
ATOM     12  C   LIG    1        4.352  -0.194   1.128  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1        2.974  -0.336   0.941  0.00  0.00    +0.027 A 
BRANCH  11  14
ATOM     14  C   LIG    1        6.665  -0.172   0.172  0.00  0.00    +0.263 C 
ATOM     15  N   LIG    1        7.075   0.894   0.963  0.00  0.00    -0.307 N 
ATOM     16  H   LIG    1        6.393   1.597   1.222  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1        7.439  -0.945  -0.382  0.00  0.00    -0.269 OA
BRANCH  15  18
ATOM     18  C   LIG    1        8.457   1.199   1.155  0.00  0.00    +0.073 C 
ATOM     19  C   LIG    1        8.883   2.201   2.193  0.00  0.00    +0.024 C 
ATOM     20  C   LIG    1        9.169   0.743   2.398  0.00  0.00    +0.024 C 
ENDBRANCH  15  18
ENDBRANCH  11  14
ENDBRANCH   4   8
BRANCH   1  21
ATOM     21  C   LIG    1       -2.950  -2.575  -0.995  0.00  0.00    +0.121 C 
BRANCH  21  32
ATOM     22  C   LIG    1       -8.330   3.322  -0.460  0.00  0.00    +0.049 C 
ATOM     23  C   LIG    1       -7.344   2.200  -0.386  0.00  0.00    +0.016 A 
ATOM     24  C   LIG    1       -7.097   1.617   0.973  0.00  0.00    +0.252 A 
ATOM     25  O   LIG    1       -7.672   2.038   1.971  0.00  0.00    -0.268 OA
ATOM     26  N   LIG    1       -6.196   0.586   1.054  0.00  0.00    -0.321 N 
ATOM     27  H   LIG    1       -6.043   0.204   1.977  0.00  0.00    +0.169 HD
ATOM     28  C   LIG    1       -5.516   0.075  -0.057  0.00  0.00    +0.068 A 
ATOM     29  C   LIG    1       -5.744   0.615  -1.321  0.00  0.00    +0.088 A 
ATOM     30  N   LIG    1       -5.136   0.178  -2.443  0.00  0.00    -0.253 NA
ATOM     31  C   LIG    1       -4.257  -0.840  -2.288  0.00  0.00    +0.116 A 
ATOM     32  C   LIG    1       -3.947  -1.444  -1.068  0.00  0.00    -0.013 A 
ATOM     33  C   LIG    1       -4.609  -0.970   0.071  0.00  0.00    +0.034 A 
ATOM     34  C   LIG    1       -6.695   1.712  -1.458  0.00  0.00    +0.038 A 
ENDBRANCH  21  32
ENDBRANCH   1  21
TORSDOF 5