REMARK  Name = BDB022380
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.118   0.639  -0.774  0.00  0.00    +0.033 A 
ATOM      2  C   LIG    1       -1.500   0.417  -0.892  0.00  0.00    +0.035 A 
ATOM      3  C   LIG    1       -2.410   0.712   0.148  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1       -3.865   0.417   0.012  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -4.668   0.867   0.985  0.00  0.00    +0.093 A 
ATOM      6  C   LIG    1       -4.194   1.562   2.198  0.00  0.00    +0.253 A 
ATOM      7  N   LIG    1       -2.828   1.722   2.341  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1       -2.335   2.373   3.545  0.00  0.00    +0.152 C 
ATOM      9  O   LIG    1       -5.032   1.938   3.017  0.00  0.00    -0.268 OA
ATOM     10  C   LIG    1       -1.919   1.323   1.317  0.00  0.00    +0.054 A 
ATOM     11  C   LIG    1       -0.542   1.563   1.432  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        0.341   1.226   0.401  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1        0.716   0.348  -1.872  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        0.243  -0.165  -2.609  0.00  0.00    +0.154 HD
BRANCH  13  17
ATOM     15  C   LIG    1        4.158  -0.174  -0.853  0.00  0.00    +0.220 A 
ATOM     16  N   LIG    1        2.831   0.031  -0.782  0.00  0.00    -0.198 NA
ATOM     17  C   LIG    1        2.113   0.104  -1.921  0.00  0.00    +0.147 A 
ATOM     18  C   LIG    1        2.732  -0.017  -3.160  0.00  0.00    +0.099 A 
ATOM     19 CL   LIG    1        1.878   0.052  -4.651  0.00  0.00    -0.078 Cl
ATOM     20  C   LIG    1        4.090  -0.221  -3.144  0.00  0.00    +0.137 A 
ATOM     21  N   LIG    1        4.819  -0.303  -2.014  0.00  0.00    -0.221 NA
BRANCH  15  23
ATOM     22  C   LIG    1        6.106  -0.979   0.529  0.00  0.00    +0.103 C 
ATOM     23  N   LIG    1        4.885  -0.235   0.341  0.00  0.00    -0.294 N 
ATOM     24  C   LIG    1        4.340  -0.670   1.593  0.00  0.00    +0.110 C 
ATOM     25  C   LIG    1        5.782  -0.933   2.036  0.00  0.00    +0.044 C 
BRANCH  22  26
ATOM     26  C   LIG    1        7.343  -0.218   0.074  0.00  0.00    +0.182 C 
BRANCH  26  28
ATOM     27  C   LIG    1        9.698  -0.244   0.187  0.00  0.00    +0.194 C 
ATOM     28  O   LIG    1        8.498  -0.894   0.586  0.00  0.00    -0.381 OA
ENDBRANCH  26  28
ENDBRANCH  22  26
ENDBRANCH  15  23
ENDBRANCH  13  17
ENDBRANCH   1  13
BRANCH   4  29
ATOM     29  N   LIG    1       -4.273  -0.319  -1.100  0.00  0.00    -0.340 N 
ATOM     30  H   LIG    1       -3.597  -1.044  -1.328  0.00  0.00    +0.146 HD
BRANCH  29  31
ATOM     31  C   LIG    1       -5.620  -0.717  -1.509  0.00  0.00    +0.070 C 
ATOM     32  C   LIG    1       -6.451   0.498  -1.911  0.00  0.00    +0.028 C 
BRANCH  31  33
ATOM     33  C   LIG    1       -6.236  -1.649  -0.494  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1       -7.527  -2.370  -0.812  0.00  0.00    +0.005 C 
ATOM     35  C   LIG    1       -7.497  -1.349   0.288  0.00  0.00    +0.005 C 
ENDBRANCH  31  33
ENDBRANCH  29  31
ENDBRANCH   4  29
TORSDOF 8