REMARK  Name = BDB031702
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.404  -0.086   2.386  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1        1.038  -1.240   1.668  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -0.156  -1.226   0.939  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1       -1.019  -0.140   0.909  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1       -2.095  -0.537   0.052  0.00  0.00    +0.153 A 
ATOM      6  N   LIG    1       -1.899  -1.776  -0.415  0.00  0.00    -0.158 NA
ATOM      7  C   LIG    1       -0.680   1.002   1.658  0.00  0.00    +0.014 A 
ATOM      8  N   LIG    1       -0.743  -2.165   0.139  0.00  0.00    -0.275 N 
ATOM      9  H   LIG    1       -0.398  -3.093  -0.076  0.00  0.00    +0.189 HD
ATOM     10  C   LIG    1        0.522   1.008   2.384  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1        4.047  -0.171  -1.413  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1        3.606   0.203  -0.138  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1        4.263  -0.301   0.978  0.00  0.00    -0.007 A 
ATOM     14  C   LIG    1        4.053  -0.137   2.458  0.00  0.00    +0.081 C 
ATOM     15  C   LIG    1        2.708  -0.041   3.152  0.00  0.00    +0.040 C 
ATOM     16  C   LIG    1        5.162  -0.956   3.079  0.00  0.00    +0.228 C 
ATOM     17  N   LIG    1        5.883  -1.518   2.040  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1        6.684  -2.110   2.191  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1        5.360  -1.083   4.275  0.00  0.00    -0.274 OA
ATOM     20  C   LIG    1        3.618   1.168   3.058  0.00  0.00    +0.031 C 
ATOM     21  C   LIG    1        5.371  -1.144   0.796  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1        5.845  -1.514  -0.443  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1        5.165  -1.016  -1.556  0.00  0.00    +0.047 A 
BRANCH  11  25
ATOM     24  C   LIG    1        2.229   0.896  -2.511  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1        3.480   0.222  -2.596  0.00  0.00    -0.495 OA
ENDBRANCH  11  25
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  N   LIG    1       -3.139   0.291  -0.214  0.00  0.00    -0.292 N 
ATOM     27  H   LIG    1       -3.122   1.198   0.244  0.00  0.00    +0.154 HD
BRANCH  26  28
ATOM     28  C   LIG    1       -4.222   0.082  -1.004  0.00  0.00    +0.114 A 
ATOM     29  C   LIG    1       -5.274   1.000  -1.230  0.00  0.00    +0.255 A 
ATOM     30  N   LIG    1       -6.210   0.527  -2.057  0.00  0.00    -0.132 NA
ATOM     31  N   LIG    1       -5.750  -0.706  -2.356  0.00  0.00    -0.269 N 
ATOM     32  C   LIG    1       -6.512  -1.549  -3.245  0.00  0.00    +0.172 C 
ATOM     33  C   LIG    1       -4.566  -1.016  -1.754  0.00  0.00    +0.135 A 
BRANCH  29  34
ATOM     34  O   LIG    1       -5.363   2.238  -0.692  0.00  0.00    -0.477 OA
ATOM     35  C   LIG    1       -6.532   2.954  -1.074  0.00  0.00    +0.279 C 
ENDBRANCH  29  34
ENDBRANCH  26  28
ENDBRANCH   5  26
TORSDOF 5