REMARK  Name = BDB004434
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.677   0.880   0.249  0.00  0.00    -0.257 N 
ATOM      2  C   LIG    1        0.041  -0.389   0.589  0.00  0.00    +0.192 C 
ATOM      3  C   LIG    1        0.528  -0.627   2.002  0.00  0.00    +0.019 A 
ATOM      4  C   LIG    1        1.370   0.416   2.386  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        1.973   0.471   3.628  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1        1.712  -0.577   4.514  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        0.866  -1.638   4.142  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1        0.266  -1.670   2.878  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1        1.457   1.373   1.277  0.00  0.00    +0.250 C 
ATOM     10  O   LIG    1        2.098   2.406   1.310  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2  11
ATOM     11  C   LIG    1        0.480  -1.529  -0.345  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -0.460  -2.301  -1.054  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -0.053  -3.328  -1.911  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        1.302  -3.601  -2.071  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1        1.802  -4.856  -3.136  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        2.254  -2.863  -1.377  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        1.847  -1.837  -0.519  0.00  0.00    +0.010 A 
ENDBRANCH   2  11
BRANCH   1  18
ATOM     18  C   LIG    1        0.447   1.582  -0.999  0.00  0.00    +0.146 C 
BRANCH  18  22
ATOM     19  C   LIG    1        3.204   0.393  -4.108  0.00  0.00    +0.052 A 
ATOM     20  C   LIG    1        1.853   0.047  -4.198  0.00  0.00    +0.019 A 
ATOM     21  C   LIG    1        0.959   0.443  -3.200  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1        1.406   1.182  -2.095  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        2.762   1.532  -2.017  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        3.656   1.140  -3.016  0.00  0.00    +0.019 A 
BRANCH  19  26
ATOM     25  N   LIG    1        4.868  -0.348  -5.955  0.00  0.00    -0.191 NA
ATOM     26  C   LIG    1        4.123  -0.017  -5.129  0.00  0.00    +0.099 C 
ENDBRANCH  19  26
ENDBRANCH  18  22
ENDBRANCH   1  18
BRANCH   2  27
ATOM     27  O   LIG    1       -1.383  -0.239   0.525  0.00  0.00    -0.348 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -1.986   0.713   1.399  0.00  0.00    +0.163 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.469   0.787   1.050  0.00  0.00    +0.030 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -4.210   1.780   1.946  0.00  0.00    +0.030 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -5.697   1.847   1.618  0.00  0.00    +0.156 C 
BRANCH  31  32
ATOM     32  O   LIG    1       -5.897   2.325   0.296  0.00  0.00    -0.395 OA
ATOM     33  H   LIG    1       -5.567   3.240   0.261  0.00  0.00    +0.209 HD
ENDBRANCH  31  32
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   2  27
TORSDOF 10