REMARK  Name = BDB014755
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -6.183   3.095  -1.065  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.700   3.288  -0.878  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.994   2.264  -0.258  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.562   2.531  -0.016  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.838   1.279   0.322  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.452   1.016   0.483  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -0.257  -0.262   0.823  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -1.476  -0.830   0.803  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -2.463   0.072   0.551  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -3.923  -0.155   0.464  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.639   1.210   0.558  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -4.155   4.318  -1.277  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        0.490   1.980   0.334  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        0.172   2.920   0.137  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.901   1.897   0.261  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1        2.609   0.691   0.171  0.00  0.00    +0.033 A 
ATOM     17  C   LIG    1        4.015   0.655   0.135  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        4.721   1.863   0.202  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        4.039   3.074   0.306  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        2.643   3.087   0.340  0.00  0.00    +0.023 A 
BRANCH  17  21
ATOM     21  C   LIG    1        4.726  -0.624   0.027  0.00  0.00    +0.093 A 
ATOM     22  N   LIG    1        4.136  -1.724  -0.471  0.00  0.00    -0.171 NA
ATOM     23  N   LIG    1        5.078  -2.677  -0.411  0.00  0.00    -0.274 N 
ATOM     24  C   LIG    1        4.765  -4.007  -0.872  0.00  0.00    +0.172 C 
ATOM     25  C   LIG    1        6.261  -2.244   0.103  0.00  0.00    +0.108 A 
ATOM     26  C   LIG    1        6.069  -0.916   0.399  0.00  0.00    +0.049 A 
ENDBRANCH  17  21
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  27
ATOM     27  C   LIG    1       -1.606  -2.252   1.093  0.00  0.00    +0.147 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -1.578  -3.172  -0.097  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1       -0.409  -3.170  -1.054  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -1.766  -2.729  -1.530  0.00  0.00    +0.005 C 
ENDBRANCH  27  28
ENDBRANCH   8  27
TORSDOF 5