REMARK  Name = BDB021180
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.451  -0.457   0.337  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1        1.800   0.543  -0.442  0.00  0.00    +0.152 A 
ATOM      3  N   LIG    1        0.440   0.696  -0.252  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1        0.029   1.712  -1.079  0.00  0.00    +0.129 A 
ATOM      5  C   LIG    1        1.157   2.126  -1.757  0.00  0.00    +0.144 A 
ATOM      6  C   LIG    1       -0.303  -0.092   0.652  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.309  -1.005   1.356  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.256   1.389  -1.347  0.00  0.00    -0.222 NA
ATOM      9  C   LIG    1        1.667  -1.166   1.177  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1        7.033  -2.583  -0.021  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1        5.876  -1.668   0.122  0.00  0.00    +0.061 A 
ATOM     12  N   LIG    1        6.072  -0.355   0.273  0.00  0.00    -0.176 NA
ATOM     13  N   LIG    1        4.827   0.164   0.368  0.00  0.00    -0.266 N 
ATOM     14  C   LIG    1        4.711   1.585   0.606  0.00  0.00    +0.173 C 
ATOM     15  C   LIG    1        3.836  -0.788   0.274  0.00  0.00    +0.074 A 
ATOM     16  C   LIG    1        4.504  -1.990   0.126  0.00  0.00    +0.052 A 
ENDBRANCH   1  15
BRANCH   5  17
ATOM     17  C   LIG    1        1.231   3.179  -2.766  0.00  0.00    +0.261 C 
ATOM     18  O   LIG    1        0.269   3.838  -3.143  0.00  0.00    -0.269 OA
ATOM     19  N   LIG    1        2.485   3.363  -3.272  0.00  0.00    -0.324 N 
ATOM     20  H   LIG    1        2.617   4.006  -4.037  0.00  0.00    +0.145 HD
ATOM     21  H   LIG    1        3.225   2.727  -2.999  0.00  0.00    +0.145 HD
ENDBRANCH   5  17
BRANCH   6  22
ATOM     22  N   LIG    1       -1.656   0.128   0.766  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -2.132   0.657   0.045  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -2.511  -0.755   1.531  0.00  0.00    +0.140 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.936  -0.281   1.421  0.00  0.00    -0.024 A 
ATOM     26  C   LIG    1       -4.787  -0.718   0.410  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -4.538  -1.645  -0.720  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -5.977  -1.853  -1.192  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -6.780  -0.731  -0.763  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -6.078  -0.218   0.297  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -6.579   0.729   1.165  0.00  0.00    +0.046 A 
ATOM     32  C   LIG    1       -5.746   1.181   2.188  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1       -4.438   0.684   2.313  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 5