REMARK  Name = BDB032249
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.443   0.668  -1.339  0.00  0.00    -0.012 A 
ATOM      2  C   LIG    1        0.171  -0.556  -1.116  0.00  0.00    +0.118 A 
ATOM      3  N   LIG    1        1.440  -0.704  -0.667  0.00  0.00    -0.240 NA
ATOM      4  C   LIG    1        2.166   0.405  -0.412  0.00  0.00    +0.122 A 
ATOM      5  C   LIG    1        1.612   1.675  -0.589  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1        0.304   1.808  -1.055  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        3.485   0.282   0.067  0.00  0.00    -0.306 N 
ATOM      8  C   LIG    1        3.830  -1.099   0.474  0.00  0.00    +0.134 C 
ATOM      9  C   LIG    1        5.205  -1.130   1.176  0.00  0.00    +0.131 C 
ATOM     10  N   LIG    1        6.197  -0.423   0.380  0.00  0.00    -0.326 N 
ATOM     11  C   LIG    1        5.893   0.533  -0.555  0.00  0.00    +0.127 A 
ATOM     12  N   LIG    1        6.991   1.008  -1.108  0.00  0.00    -0.239 NA
ATOM     13  C   LIG    1        8.024   0.323  -0.520  0.00  0.00    +0.130 A 
ATOM     14  C   LIG    1        7.552  -0.582   0.403  0.00  0.00    +0.107 A 
ATOM     15  C   LIG    1        4.467   0.885  -0.864  0.00  0.00    +0.180 C 
BRANCH   9  16
ATOM     16  C   LIG    1        5.129  -0.557   2.597  0.00  0.00    +0.182 C 
BRANCH  16  17
ATOM     17  O   LIG    1        4.481  -1.474   3.480  0.00  0.00    -0.393 OA
ATOM     18  H   LIG    1        5.135  -2.140   3.754  0.00  0.00    +0.209 HD
ENDBRANCH  16  17
ENDBRANCH   9  16
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1       -1.862   0.742  -1.828  0.00  0.00    +0.138 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -2.761   0.357  -0.750  0.00  0.00    -0.339 N 
ATOM     21  H   LIG    1       -2.488   0.785   0.132  0.00  0.00    +0.146 HD
BRANCH  20  25
ATOM     22  C   LIG    1       -7.240   0.010   1.184  0.00  0.00    +0.124 A 
ATOM     23  C   LIG    1       -6.427   0.217   0.041  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -5.018   0.175   0.203  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1       -4.159   0.410  -0.919  0.00  0.00    +0.035 A 
ATOM     26  C   LIG    1       -4.740   0.583  -2.184  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -6.121   0.617  -2.348  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1       -4.529  -0.112   1.491  0.00  0.00    +0.030 A 
ATOM     29  C   LIG    1       -5.412  -0.307   2.537  0.00  0.00    +0.113 A 
ATOM     30  C   LIG    1       -6.954   0.450  -1.248  0.00  0.00    +0.012 A 
ATOM     31  N   LIG    1       -6.747  -0.242   2.408  0.00  0.00    -0.240 NA
BRANCH  22  32
ATOM     32  N   LIG    1       -8.643   0.044   1.101  0.00  0.00    -0.343 N 
ATOM     33  H   LIG    1       -8.935   0.949   0.748  0.00  0.00    +0.144 HD
ATOM     34  H   LIG    1       -8.954  -0.678   0.460  0.00  0.00    +0.144 HD
ENDBRANCH  22  32
ENDBRANCH  20  25
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 7