REMARK  Name = BDB013960
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.784  -1.133  -0.023  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1       -0.076  -0.480   1.083  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        0.451   0.168   1.994  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -1.464  -0.624   0.967  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -2.097  -1.610   0.141  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -1.529  -2.892  -0.038  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -2.163  -3.828  -0.873  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -3.361  -3.518  -1.510  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -3.944  -2.273  -1.311  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -0.295  -3.320   0.715  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -3.322  -1.331  -0.487  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        0.966  -2.627   0.221  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        2.248   0.720  -0.756  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        2.082  -0.470  -0.074  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        2.699  -0.550   0.733  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        1.411   1.164  -1.539  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        3.549   1.475  -0.378  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        4.066   2.252  -1.588  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        5.642   1.167   0.849  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        4.543   0.509   0.156  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        4.909  -0.045  -0.620  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -2.299   0.269   1.779  0.00  0.00    +0.150 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.701   1.562   1.111  0.00  0.00    -0.012 A 
ATOM     24  C   LIG    1       -3.904   2.170   1.467  0.00  0.00    +0.116 A 
ATOM     25  N   LIG    1       -4.360   3.332   0.948  0.00  0.00    -0.263 NA
ATOM     26  C   LIG    1       -3.570   3.938   0.037  0.00  0.00    +0.111 A 
ATOM     27  C   LIG    1       -2.348   3.436  -0.373  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -1.907   2.235   0.177  0.00  0.00    +0.008 A 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 5