REMARK  Name = BDB021823
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.498   0.814  -0.238  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        0.715   0.468   0.392  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        1.839   0.798  -0.334  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        1.718   1.546  -1.000  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        0.733  -0.066   1.498  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1       -4.588  -0.225   0.006  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1       -3.479  -1.075  -0.436  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1       -2.197  -0.931   0.382  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1       -1.738   0.532   0.520  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1       -2.873   1.533   0.264  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1       -4.196   0.961   0.770  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1       -5.756  -0.968   0.520  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1       -6.995  -0.061   0.562  0.00  0.00    +0.024 C 
BRANCH  12  14
ATOM     14  C   LIG    1       -5.502  -1.661   1.880  0.00  0.00    +0.018 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -6.300  -3.340   3.586  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -6.647  -2.585   2.311  0.00  0.00    -0.002 C 
ENDBRANCH  14  16
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  C   LIG    1        3.175   0.445  -0.059  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1        3.546  -0.531   0.866  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1        4.896  -0.838   1.068  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1        5.899  -0.180   0.344  0.00  0.00    -0.033 A 
ATOM     21  C   LIG    1        5.524   0.793  -0.589  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        4.174   1.098  -0.791  0.00  0.00    +0.023 A 
BRANCH  20  23
ATOM     23  C   LIG    1        7.359  -0.505   0.582  0.00  0.00    +0.119 C 
BRANCH  23  24
ATOM     24  N   LIG    1        7.695  -1.920   0.340  0.00  0.00    -0.304 NA
ATOM     25  C   LIG    1        9.045  -2.205   0.828  0.00  0.00    +0.104 C 
ATOM     26  C   LIG    1        7.596  -2.260  -1.081  0.00  0.00    +0.104 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   3  17
BRANCH   1  27
ATOM     27  C   LIG    1       -0.587   0.922  -1.701  0.00  0.00    +0.144 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -0.203   2.276  -2.262  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1        0.239   2.359  -3.592  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        0.596   3.588  -4.150  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        0.508   4.751  -3.389  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        0.059   4.686  -2.072  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -0.299   3.458  -1.513  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 9