REMARK  Name = BDB018254
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.537  -0.609  -0.910  0.00  0.00    -0.264 N 
ATOM      2  N   LIG    1        1.155  -1.774  -0.337  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1        0.065  -1.443   0.362  0.00  0.00    +0.143 A 
ATOM      4  C   LIG    1       -0.267  -0.079   0.227  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1        0.705   0.437  -0.601  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -1.342   0.640   0.845  0.00  0.00    +0.022 A 
ATOM      7  C   LIG    1       -2.755   0.180   0.787  0.00  0.00    +0.044 A 
ATOM      8  C   LIG    1       -3.642   0.786   1.603  0.00  0.00    +0.094 A 
ATOM      9  C   LIG    1       -3.291   1.943   2.460  0.00  0.00    +0.253 A 
ATOM     10  O   LIG    1       -4.152   2.438   3.182  0.00  0.00    -0.268 OA
ATOM     11  N   LIG    1       -1.986   2.394   2.355  0.00  0.00    -0.318 N 
ATOM     12  C   LIG    1       -1.556   3.518   3.169  0.00  0.00    +0.152 C 
ATOM     13  C   LIG    1       -1.047   1.723   1.596  0.00  0.00    +0.099 A 
BRANCH   7  14
ATOM     14  N   LIG    1       -3.146  -0.844  -0.098  0.00  0.00    -0.329 N 
ATOM     15  C   LIG    1       -2.717  -0.897  -1.510  0.00  0.00    +0.105 C 
ATOM     16  C   LIG    1       -3.864  -1.586  -2.244  0.00  0.00    +0.020 C 
ATOM     17  C   LIG    1       -4.417  -2.520  -1.186  0.00  0.00    +0.020 C 
ATOM     18  C   LIG    1       -4.369  -1.648   0.061  0.00  0.00    +0.105 C 
ENDBRANCH   7  14
ENDBRANCH   4   6
BRANCH   1  20
ATOM     19  C   LIG    1        3.057  -1.857  -2.474  0.00  0.00    +0.038 C 
ATOM     20  C   LIG    1        2.722  -0.536  -1.773  0.00  0.00    +0.134 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.915   0.016  -1.007  0.00  0.00    -0.023 A 
ATOM     22  C   LIG    1        4.405  -0.627   0.142  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1        5.505  -0.113   0.831  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        6.131   1.047   0.380  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.659   1.694  -0.760  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        4.558   1.182  -1.451  0.00  0.00    +0.006 A 
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 4