REMARK  Name = BDB029584
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.733  -1.520   0.147  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -1.777  -1.373  -1.072  0.00  0.00    +0.262 A 
ATOM      3  N   LIG    1       -0.785  -1.812  -1.938  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1       -0.824  -1.501  -3.276  0.00  0.00    +0.202 A 
ATOM      5  N   LIG    1       -1.787  -0.874  -3.862  0.00  0.00    -0.237 NA
ATOM      6  C   LIG    1       -2.868  -0.461  -3.072  0.00  0.00    +0.078 A 
ATOM      7  C   LIG    1       -3.936   0.197  -3.678  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1       -5.028   0.630  -2.917  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1       -5.082   0.411  -1.532  0.00  0.00    +0.032 A 
ATOM     10  C   LIG    1       -4.007  -0.247  -0.928  0.00  0.00    +0.038 A 
ATOM     11  C   LIG    1       -2.916  -0.676  -1.697  0.00  0.00    +0.067 A 
ENDROOT
BRANCH   9  12
ATOM     12  N   LIG    1       -6.183   0.903  -0.809  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1       -7.021   1.026  -1.371  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -6.325   1.312   0.528  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1       -7.573   1.283   1.144  0.00  0.00    +0.158 A 
ATOM     16  N   LIG    1       -7.789   1.630   2.434  0.00  0.00    -0.156 NA
ATOM     17  N   LIG    1       -6.741   2.024   3.193  0.00  0.00    -0.158 NA
ATOM     18  C   LIG    1       -5.510   2.057   2.645  0.00  0.00    +0.137 A 
ATOM     19  C   LIG    1       -5.262   1.709   1.329  0.00  0.00    +0.046 A 
ENDBRANCH  12  14
ENDBRANCH   9  12
BRANCH   3  20
ATOM     20  C   LIG    1        0.382  -2.487  -1.375  0.00  0.00    +0.158 C 
BRANCH  20  21
ATOM     21  C   LIG    1        1.446  -1.480  -0.892  0.00  0.00    +0.148 C 
BRANCH  21  22
ATOM     22  O   LIG    1        2.052  -0.882  -2.050  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1        2.758  -1.471  -2.368  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1        2.506  -2.195  -0.016  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1        3.427  -1.369   0.780  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1        4.215  -0.411  -0.011  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1        5.177   0.399   0.835  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        4.945   0.579   2.210  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1        5.825   1.365   2.967  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        6.913   1.989   2.359  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        7.134   1.829   0.993  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        3.791  -0.126   2.879  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1        6.269   1.041   0.232  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1        2.755  -0.661   1.879  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 7