REMARK  Name = BDB056924
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.321   3.145   0.521  0.00  0.00    +0.217 A 
ATOM      2  N   LIG    1       -1.901   2.062  -0.016  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -1.056   1.026  -0.147  0.00  0.00    +0.164 A 
ATOM      4  C   LIG    1        0.282   0.998   0.187  0.00  0.00    +0.065 A 
ATOM      5  C   LIG    1        0.733  -0.307  -0.161  0.00  0.00    +0.103 A 
ATOM      6  N   LIG    1       -0.275  -1.043  -0.667  0.00  0.00    -0.169 NA
ATOM      7  C   LIG    1        0.786   2.164   0.744  0.00  0.00    +0.128 A 
ATOM      8  N   LIG    1       -1.347  -0.221  -0.622  0.00  0.00    -0.241 N 
ATOM      9  N   LIG    1       -0.029   3.235   0.896  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        2.076  -0.870  -0.028  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1        2.242  -2.195   0.391  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        3.522  -2.739   0.530  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1        4.655  -1.975   0.248  0.00  0.00    +0.120 A 
ATOM     14  C   LIG    1        4.497  -0.657  -0.183  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        3.215  -0.109  -0.322  0.00  0.00    +0.013 A 
BRANCH  13  16
ATOM     16  O   LIG    1        5.844  -2.627   0.425  0.00  0.00    -0.495 OA
ATOM     17  C   LIG    1        7.029  -1.895   0.138  0.00  0.00    +0.277 C 
ENDBRANCH  13  16
ENDBRANCH   5  10
BRANCH   1  19
ATOM     18  C   LIG    1       -1.521   5.523   0.532  0.00  0.00    +0.128 C 
ATOM     19  N   LIG    1       -2.163   4.238   0.685  0.00  0.00    -0.316 N 
ATOM     20  H   LIG    1       -2.961   4.075   0.081  0.00  0.00    +0.149 HD
ENDBRANCH   1  19
BRANCH   8  21
ATOM     21  C   LIG    1       -2.629  -0.666  -1.124  0.00  0.00    +0.207 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.691  -0.756  -0.034  0.00  0.00    +0.271 C 
ATOM     23  O   LIG    1       -4.984  -0.923  -0.653  0.00  0.00    -0.347 OA
ATOM     24  C   LIG    1       -5.647  -1.877   0.174  0.00  0.00    +0.191 C 
ATOM     25  C   LIG    1       -4.525  -2.773   0.617  0.00  0.00    +0.191 C 
ATOM     26  O   LIG    1       -3.446  -1.868   0.846  0.00  0.00    -0.347 OA
ENDBRANCH  21  22
ENDBRANCH   8  21
TORSDOF 5