REMARK  Name = BDB022120
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.839  -1.198   1.081  0.00  0.00    +0.086 A 
ATOM      2  N   LIG    1       -1.740  -1.021   0.031  0.00  0.00    -0.199 N 
ATOM      3  N   LIG    1       -1.075  -0.927  -1.166  0.00  0.00    -0.171 NA
ATOM      4  C   LIG    1        0.210  -1.048  -0.856  0.00  0.00    +0.148 A 
ATOM      5  C   LIG    1        0.434  -1.182   0.523  0.00  0.00    +0.080 A 
ENDROOT
BRANCH   5   6
ATOM      6  C   LIG    1        1.695  -1.331   1.233  0.00  0.00    +0.250 C 
ATOM      7  N   LIG    1        2.747  -0.495   0.873  0.00  0.00    -0.295 N 
ATOM      8  C   LIG    1        2.604   0.760   0.124  0.00  0.00    +0.123 C 
ATOM      9  C   LIG    1        3.605   1.841   0.582  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1        5.017   1.421   0.612  0.00  0.00    -0.297 NA
ATOM     11  C   LIG    1        5.187  -0.038   0.717  0.00  0.00    +0.103 C 
ATOM     12  C   LIG    1        4.050  -0.720   1.498  0.00  0.00    +0.123 C 
ATOM     13  O   LIG    1        1.814  -2.173   2.122  0.00  0.00    -0.270 OA
BRANCH  10  14
ATOM     14  C   LIG    1        5.868   2.095  -0.383  0.00  0.00    +0.051 C 
ATOM     15  C   LIG    1        5.534   1.761  -1.842  0.00  0.00    +0.024 C 
ATOM     16  C   LIG    1        7.357   1.842  -0.115  0.00  0.00    +0.024 C 
ENDBRANCH  10  14
ENDBRANCH   5   6
BRANCH   2  17
ATOM     17  C   LIG    1       -3.186  -0.947   0.058  0.00  0.00    +0.252 A 
ATOM     18  N   LIG    1       -3.824  -0.714  -1.109  0.00  0.00    -0.210 NA
ATOM     19  C   LIG    1       -5.172  -0.635  -1.087  0.00  0.00    +0.086 A 
ATOM     20  C   LIG    1       -5.921  -0.836   0.059  0.00  0.00    -0.006 A 
ATOM     21  C   LIG    1       -7.412  -0.802   0.126  0.00  0.00    +0.047 C 
ATOM     22  C   LIG    1       -5.176  -1.062   1.198  0.00  0.00    +0.120 A 
ATOM     23  N   LIG    1       -3.832  -1.128   1.224  0.00  0.00    -0.219 NA
BRANCH  19  24
ATOM     24  C   LIG    1       -5.735  -0.358  -2.413  0.00  0.00    +0.038 A 
ATOM     25  S   LIG    1       -6.737   1.010  -2.678  0.00  0.00    -0.095 S 
ATOM     26  C   LIG    1       -6.915   0.646  -4.339  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1       -6.202  -0.474  -4.701  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1       -5.510  -1.043  -3.594  0.00  0.00    +0.017 A 
ENDBRANCH  19  24
ENDBRANCH   2  17
BRANCH   1  29
ATOM     29  C   LIG    1       -1.231  -1.332   2.509  0.00  0.00    +0.215 C 
BRANCH  29  31
ATOM     30  C   LIG    1       -0.437   0.541   3.728  0.00  0.00    +0.194 C 
ATOM     31  O   LIG    1       -1.513  -0.019   2.988  0.00  0.00    -0.377 OA
ENDBRANCH  29  31
ENDBRANCH   1  29
TORSDOF 6