REMARK  Name = BDB035017
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.698   1.024   1.564  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1       -3.507   0.401   0.891  0.00  0.00    -0.009 A 
ATOM      3  C   LIG    1       -3.644  -0.664  -0.018  0.00  0.00    +0.120 A 
ATOM      4  N   LIG    1       -2.616  -1.256  -0.647  0.00  0.00    -0.231 NA
ATOM      5  C   LIG    1       -1.388  -0.771  -0.363  0.00  0.00    +0.093 A 
ATOM      6  C   LIG    1       -1.170   0.276   0.521  0.00  0.00    +0.067 A 
ATOM      7  N   LIG    1        0.185   0.491   0.557  0.00  0.00    -0.339 N 
ATOM      8  H   LIG    1        0.660   1.193   1.113  0.00  0.00    +0.167 HD
ATOM      9  C   LIG    1        0.836  -0.389  -0.280  0.00  0.00    +0.122 A 
ATOM     10  C   LIG    1       -0.130  -1.185  -0.863  0.00  0.00    +0.074 A 
ATOM     11  C   LIG    1       -2.227   0.897   1.178  0.00  0.00    +0.034 A 
ENDROOT
BRANCH   9  12
ATOM     12  N   LIG    1        2.204  -0.361  -0.408  0.00  0.00    -0.253 N 
ATOM     13  C   LIG    1        3.081   0.531   0.268  0.00  0.00    +0.335 A 
ATOM     14  O   LIG    1        2.801   1.413   1.065  0.00  0.00    -0.246 OA
ATOM     15  N   LIG    1        4.362   0.149  -0.206  0.00  0.00    -0.302 N 
ATOM     16  C   LIG    1        5.602   0.759   0.184  0.00  0.00    +0.153 C 
ATOM     17  C   LIG    1        4.226  -0.895  -1.098  0.00  0.00    +0.108 A 
ATOM     18  C   LIG    1        2.925  -1.202  -1.219  0.00  0.00    +0.115 A 
ENDBRANCH   9  12
BRANCH   3  19
ATOM     19  N   LIG    1       -4.918  -1.175  -0.320  0.00  0.00    -0.343 N 
ATOM     20  H   LIG    1       -5.493  -0.436  -0.709  0.00  0.00    +0.144 HD
ATOM     21  H   LIG    1       -5.354  -1.513   0.531  0.00  0.00    +0.144 HD
ENDBRANCH   3  19
TORSDOF 2