REMARK  Name = BDB007752
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.692   2.217  -2.842  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1       -1.143   1.443  -2.067  0.00  0.00    +0.263 C 
ATOM      3  N   LIG    1        0.223   1.299  -1.959  0.00  0.00    -0.308 N 
ATOM      4  H   LIG    1        0.552   0.795  -1.130  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.936   0.581  -1.135  0.00  0.00    +0.130 A 
ATOM      6  N   LIG    1       -1.225  -0.166  -0.258  0.00  0.00    -0.231 NA
ATOM      7  C   LIG    1       -1.966  -0.920   0.557  0.00  0.00    +0.224 A 
ATOM      8  N   LIG    1       -3.304  -0.979   0.575  0.00  0.00    -0.221 NA
ATOM      9  C   LIG    1       -3.969  -0.210  -0.305  0.00  0.00    +0.123 A 
ATOM     10  C   LIG    1       -3.311   0.596  -1.205  0.00  0.00    +0.076 A 
BRANCH   9  11
ATOM     11  N   LIG    1       -5.379  -0.268  -0.352  0.00  0.00    -0.324 N 
ATOM     12  H   LIG    1       -5.753   0.677  -0.398  0.00  0.00    +0.148 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -6.127  -1.107   0.554  0.00  0.00    +0.099 C 
ATOM     14  C   LIG    1       -7.655  -0.892   0.465  0.00  0.00    +0.104 C 
ATOM     15  N   LIG    1       -7.705  -0.915   1.943  0.00  0.00    -0.312 NA
ATOM     16  H   LIG    1       -8.343  -0.243   2.365  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1       -6.276  -0.529   1.980  0.00  0.00    +0.104 C 
ENDBRANCH  11  13
ENDBRANCH   9  11
ENDBRANCH   2   5
BRANCH   3  18
ATOM     18  C   LIG    1        1.152   2.224  -2.579  0.00  0.00    +0.137 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.581   1.656  -2.623  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1        2.599   0.440  -3.380  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1        1.750   0.001  -3.184  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1        3.209   1.459  -1.217  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1        2.484   0.522  -0.323  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        2.792   0.794   1.097  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        3.975   0.032   1.639  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        4.050  -1.339   1.341  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        5.072  -2.122   1.879  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        6.031  -1.532   2.701  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.965  -0.168   2.993  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        2.978  -1.890   0.441  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1        4.935   0.615   2.469  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        2.731  -0.895  -0.709  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 8