REMARK  Name = BDB022922
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.899  -1.980  -3.283  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -0.975  -0.510  -2.850  0.00  0.00    +0.078 C 
ATOM      3  N   LIG    1       -1.286  -0.380  -1.416  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1       -2.638  -0.435  -1.049  0.00  0.00    +0.220 C 
ATOM      5  O   LIG    1       -3.517  -0.539  -1.906  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1       -0.207  -0.730  -0.479  0.00  0.00    +0.163 C 
ATOM      7  C   LIG    1        1.195  -0.452  -0.970  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1        1.423  -0.012  -2.259  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1        2.742   0.208  -2.582  0.00  0.00    +0.120 A 
ATOM     10  N   LIG    1        3.762  -0.010  -1.733  0.00  0.00    -0.223 NA
ATOM     11  C   LIG    1        3.453  -0.458  -0.512  0.00  0.00    +0.216 A 
ATOM     12  N   LIG    1        2.200  -0.680  -0.094  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1        0.302   0.268  -3.207  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   4  14
ATOM     14  C   LIG    1       -2.979  -0.312   0.447  0.00  0.00    +0.081 C 
ATOM     15  C   LIG    1       -4.431  -0.779   0.772  0.00  0.00    +0.018 C 
ATOM     16  C   LIG    1       -5.349   0.399   1.172  0.00  0.00    +0.088 C 
ATOM     17  N   LIG    1       -5.147   1.532   0.273  0.00  0.00    -0.305 NA
ATOM     18  C   LIG    1       -6.181   2.549   0.422  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1       -3.805   2.106   0.376  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -2.751   1.132   0.916  0.00  0.00    +0.028 C 
BRANCH  15  21
ATOM     21  C   LIG    1       -4.392  -1.918   1.781  0.00  0.00    -0.006 C 
ATOM     22  C   LIG    1       -5.453  -2.150   2.830  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1       -4.079  -1.691   3.240  0.00  0.00    +0.004 C 
ENDBRANCH  15  21
ENDBRANCH   4  14
BRANCH  11  24
ATOM     24  N   LIG    1        4.442  -0.724   0.425  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1        3.952  -0.750   1.312  0.00  0.00    +0.149 HD
BRANCH  24  26
ATOM     26  C   LIG    1        5.620   0.142   0.379  0.00  0.00    +0.077 C 
ATOM     27  C   LIG    1        6.627  -0.362  -0.667  0.00  0.00    +0.050 C 
ATOM     28  C   LIG    1        8.069  -0.131  -0.237  0.00  0.00    +0.161 C 
ATOM     29  O   LIG    1        8.170   1.090   0.489  0.00  0.00    -0.380 OA
ATOM     30  C   LIG    1        7.527   1.025   1.761  0.00  0.00    +0.161 C 
ATOM     31  C   LIG    1        6.271   0.159   1.763  0.00  0.00    +0.050 C 
ENDBRANCH  24  26
ENDBRANCH  11  24
TORSDOF 4