REMARK  Name = BDB029671
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.403  -0.303   1.642  0.00  0.00    -0.294 NA
ATOM      2  C   LIG    1        0.006  -0.775   0.299  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1       -1.396  -0.278  -0.132  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1       -2.419  -0.641   0.882  0.00  0.00    -0.326 N 
ATOM      5  C   LIG    1       -2.043  -0.169   2.232  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1       -0.640  -0.690   2.617  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.739  -0.443   0.452  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1       -4.233  -1.082  -0.695  0.00  0.00    +0.134 A 
ATOM      9  N   LIG    1       -5.487  -0.966  -1.196  0.00  0.00    -0.249 NA
ATOM     10  C   LIG    1       -6.336  -0.167  -0.512  0.00  0.00    +0.125 A 
ATOM     11  C   LIG    1       -5.972   0.507   0.646  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -4.667   0.359   1.126  0.00  0.00    +0.027 A 
BRANCH  10  13
ATOM     13  C   LIG    1       -7.723  -0.037  -1.065  0.00  0.00    +0.262 C 
ATOM     14  N   LIG    1       -8.745  -0.025  -0.125  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1       -8.538  -0.368   0.804  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1      -10.120  -0.048  -0.556  0.00  0.00    +0.128 C 
ATOM     17  O   LIG    1       -7.926   0.038  -2.272  0.00  0.00    -0.269 OA
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  18
ATOM     18  C   LIG    1        1.712  -0.840   2.064  0.00  0.00    +0.140 C 
BRANCH  18  28
ATOM     19  C   LIG    1        6.684   0.796  -1.708  0.00  0.00    +0.106 A 
ATOM     20  C   LIG    1        6.201  -0.577  -2.183  0.00  0.00    +0.271 A 
ATOM     21  O   LIG    1        6.742  -1.147  -3.117  0.00  0.00    -0.266 OA
ATOM     22  N   LIG    1        5.138  -1.104  -1.493  0.00  0.00    -0.319 N 
ATOM     23  H   LIG    1        4.803  -2.010  -1.792  0.00  0.00    +0.169 HD
ATOM     24  C   LIG    1        4.545  -0.420  -0.427  0.00  0.00    +0.071 A 
ATOM     25  C   LIG    1        5.051   0.829  -0.058  0.00  0.00    +0.106 A 
ATOM     26  C   LIG    1        4.422   1.457   1.006  0.00  0.00    +0.140 A 
ATOM     27  N   LIG    1        3.371   0.941   1.691  0.00  0.00    -0.256 NA
ATOM     28  C   LIG    1        2.899  -0.272   1.302  0.00  0.00    +0.057 A 
ATOM     29  C   LIG    1        3.466  -0.984   0.247  0.00  0.00    +0.052 A 
ATOM     30  N   LIG    1        6.140   1.435  -0.711  0.00  0.00    -0.243 NA
BRANCH  19  32
ATOM     31  C   LIG    1        9.165   0.836  -1.887  0.00  0.00    +0.010 C 
ATOM     32  C   LIG    1        7.864   1.397  -2.431  0.00  0.00    +0.057 C 
ENDBRANCH  19  32
ENDBRANCH  18  28
ENDBRANCH   1  18
TORSDOF 5