REMARK  Name = BDB003220
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.205  -0.922  -0.352  0.00  0.00    +0.124 A 
ATOM      2  N   LIG    1       -2.605   0.305  -0.005  0.00  0.00    -0.211 NA
ATOM      3  C   LIG    1       -1.659   1.251   0.145  0.00  0.00    +0.182 A 
ATOM      4  N   LIG    1       -0.336   1.035  -0.013  0.00  0.00    -0.211 NA
ATOM      5  C   LIG    1        0.054  -0.208  -0.330  0.00  0.00    +0.127 A 
ATOM      6  C   LIG    1       -0.869  -1.223  -0.513  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   5   7
ATOM      7  N   LIG    1        1.435  -0.507  -0.497  0.00  0.00    -0.314 N 
ATOM      8  C   LIG    1        2.213   0.709  -0.814  0.00  0.00    +0.111 C 
ATOM      9  C   LIG    1        3.585   0.369  -1.408  0.00  0.00    +0.054 C 
ATOM     10  C   LIG    1        4.619   0.013  -0.364  0.00  0.00    -0.043 A 
ATOM     11  C   LIG    1        4.457  -1.103   0.476  0.00  0.00    -0.043 A 
ATOM     12  C   LIG    1        5.452  -1.402   1.421  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        6.591  -0.605   1.536  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        6.752   0.497   0.705  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        3.241  -1.996   0.372  0.00  0.00    +0.054 C 
ATOM     16  C   LIG    1        5.774   0.803  -0.241  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        1.924  -1.270   0.674  0.00  0.00    +0.111 C 
ENDBRANCH   5   7
BRANCH   3  18
ATOM     18  C   LIG    1       -2.091   2.627   0.512  0.00  0.00    +0.108 A 
ATOM     19  N   LIG    1       -3.431   2.855   0.650  0.00  0.00    -0.252 NA
ATOM     20  C   LIG    1       -3.836   4.100   0.982  0.00  0.00    +0.111 A 
ATOM     21  C   LIG    1       -2.974   5.161   1.192  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -1.613   4.933   1.054  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -1.166   3.658   0.711  0.00  0.00    +0.031 A 
ENDBRANCH   3  18
BRANCH   1  24
ATOM     24  N   LIG    1       -3.145  -1.966  -0.504  0.00  0.00    -0.328 N 
ATOM     25  H   LIG    1       -2.962  -2.421  -1.403  0.00  0.00    +0.147 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -4.539  -1.515  -0.447  0.00  0.00    +0.114 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -5.482  -2.713  -0.460  0.00  0.00    +0.139 C 
BRANCH  27  29
ATOM     28  O   LIG    1       -4.714  -3.191  -2.713  0.00  0.00    -0.251 OA
ATOM     29  C   LIG    1       -5.495  -3.405  -1.799  0.00  0.00    +0.306 C 
BRANCH  29  30
ATOM     30  O   LIG    1       -6.470  -4.340  -1.890  0.00  0.00    -0.481 OA
ATOM     31  H   LIG    1       -7.006  -4.432  -1.079  0.00  0.00    +0.295 HD
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 7