REMARK  Name = BDB053404
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.800  -1.856  -1.024  0.00  0.00    +0.121 C 
ATOM      2  C   LIG    1        0.295  -1.301  -0.147  0.00  0.00    -0.021 A 
ATOM      3  C   LIG    1        1.496  -1.222  -0.859  0.00  0.00    -0.042 A 
ATOM      4  C   LIG    1        2.653  -0.756  -0.257  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1        2.606  -0.350   1.087  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        1.397  -0.471   1.807  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1        1.337  -1.738  -2.255  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        0.237  -0.948   1.193  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -0.187  -1.719  -2.436  0.00  0.00    +0.034 C 
ENDROOT
BRANCH   1  19
ATOM     10  C   LIG    1       -0.987   3.428  -1.904  0.00  0.00    +0.065 C 
ATOM     11  C   LIG    1       -1.916   2.332  -1.463  0.00  0.00    +0.041 A 
ATOM     12  N   LIG    1       -1.390   1.086  -1.377  0.00  0.00    -0.233 NA
ATOM     13  C   LIG    1       -2.293   0.152  -1.014  0.00  0.00    +0.161 A 
ATOM     14  C   LIG    1       -3.635   0.346  -0.728  0.00  0.00    +0.111 A 
ATOM     15  N   LIG    1       -4.232  -0.842  -0.404  0.00  0.00    -0.230 NA
ATOM     16  C   LIG    1       -3.289  -1.762  -0.487  0.00  0.00    +0.116 A 
ATOM     17  C   LIG    1       -4.159   1.645  -0.809  0.00  0.00    -0.020 A 
ATOM     18  C   LIG    1       -5.588   1.985  -0.523  0.00  0.00    +0.046 C 
ATOM     19  N   LIG    1       -2.079  -1.201  -0.849  0.00  0.00    -0.305 N 
ATOM     20  C   LIG    1       -3.252   2.647  -1.193  0.00  0.00    +0.028 A 
BRANCH  16  21
ATOM     21  C   LIG    1       -3.699  -3.240  -0.174  0.00  0.00    +0.055 C 
ATOM     22  C   LIG    1       -2.808  -4.186   0.578  0.00  0.00    +0.012 C 
ATOM     23  C   LIG    1       -3.101  -4.420  -0.883  0.00  0.00    +0.012 C 
ENDBRANCH  16  21
ENDBRANCH   1  19
BRANCH   5  24
ATOM     24  C   LIG    1        3.800   0.206   1.733  0.00  0.00    -0.007 A 
ATOM     25  C   LIG    1        4.018   1.593   1.921  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1        5.204   1.996   2.573  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1        6.151   1.074   3.022  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        5.934  -0.282   2.831  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        4.771  -0.710   2.194  0.00  0.00    +0.009 A 
BRANCH  25  30
ATOM     30  C   LIG    1        3.107   2.668   1.489  0.00  0.00    +0.180 A 
ATOM     31  N   LIG    1        1.999   2.563   0.686  0.00  0.00    -0.239 N 
ATOM     32  H   LIG    1        1.579   1.757   0.241  0.00  0.00    +0.192 HD
ATOM     33  N   LIG    1        1.435   3.767   0.502  0.00  0.00    -0.046 NA
ATOM     34  N   LIG    1        2.189   4.610   1.185  0.00  0.00    -0.023 NA
ATOM     35  N   LIG    1        3.223   3.952   1.796  0.00  0.00    -0.108 NA
ENDBRANCH  25  30
ENDBRANCH   5  24
TORSDOF 4