REMARK  Name = BDB007790
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.375   1.246  -1.106  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1        0.177   0.581  -1.222  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1       -0.586   1.252  -1.237  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        1.394   2.473  -1.149  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        4.789   0.314   0.105  0.00  0.00    +0.119 A 
ATOM      6  N   LIG    1        5.070  -0.787  -0.622  0.00  0.00    -0.240 NA
ATOM      7  C   LIG    1        4.152  -1.225  -1.511  0.00  0.00    +0.113 A 
ATOM      8  C   LIG    1        2.930  -0.620  -1.713  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        2.640   0.501  -0.944  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1        3.587   0.992  -0.045  0.00  0.00    +0.056 A 
BRANCH   5  11
ATOM     11  N   LIG    1        5.738   0.838   0.999  0.00  0.00    -0.328 N 
ATOM     12  H   LIG    1        5.292   1.011   1.897  0.00  0.00    +0.147 HD
BRANCH  11  13
ATOM     13  C   LIG    1        6.949   0.020   1.143  0.00  0.00    +0.118 C 
BRANCH  13  14
ATOM     14  C   LIG    1        7.918   0.703   2.131  0.00  0.00    +0.096 C 
BRANCH  14  15
ATOM     15  N   LIG    1        8.182   2.104   1.775  0.00  0.00    -0.329 NA
ATOM     16  H   LIG    1        8.684   2.121   0.886  0.00  0.00    +0.118 HD
ATOM     17  H   LIG    1        7.274   2.520   1.537  0.00  0.00    +0.118 HD
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   5  11
ENDBRANCH   1   9
BRANCH   2  18
ATOM     18  C   LIG    1       -0.163  -0.711  -0.621  0.00  0.00    +0.137 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.062  -1.550  -1.544  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -0.395  -1.713  -2.807  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1       -0.155  -0.811  -3.096  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -2.458  -0.935  -1.793  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.219  -0.607  -0.576  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -4.375   0.248  -0.924  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -5.301   0.526   0.240  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -5.316  -0.315   1.367  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -6.204  -0.055   2.419  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -7.092   1.018   2.342  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -7.094   1.841   1.219  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -4.332  -1.451   1.468  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -6.205   1.596   0.172  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -3.705  -1.815   0.115  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 10