REMARK  Name = BDB012609
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.114  -1.167   0.273  0.00  0.00    -0.336 N 
ATOM      2  C   LIG    1        1.122  -1.577   0.681  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        2.007  -0.690   0.101  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        1.321   0.241  -0.657  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1        0.051  -0.075  -0.531  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        3.456  -0.717   0.253  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        3.979  -1.690   1.041  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        5.320  -1.712   1.180  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        6.173  -0.808   0.571  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        5.627   0.190  -0.238  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        4.240   0.232  -0.397  0.00  0.00    +0.040 A 
BRANCH  10  12
ATOM     12  C   LIG    1        6.505   1.148  -0.886  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1        7.871   1.145  -0.748  0.00  0.00    -0.130 NA
ATOM     14  N   LIG    1        8.366   2.144  -1.466  0.00  0.00    -0.068 NA
ATOM     15  N   LIG    1        7.333   2.768  -2.048  0.00  0.00    -0.264 N 
ATOM     16  H   LIG    1        7.518   3.567  -2.644  0.00  0.00    +0.190 HD
ATOM     17  C   LIG    1        6.146   2.185  -1.718  0.00  0.00    +0.135 A 
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  18
ATOM     18  C   LIG    1       -1.377  -1.796   0.607  0.00  0.00    +0.127 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.959  -1.312   1.937  0.00  0.00    +0.060 C 
BRANCH  19  22
ATOM     20  C   LIG    1       -2.066   2.453   2.485  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -1.666   1.119   2.522  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -2.437   0.125   1.897  0.00  0.00    -0.004 A 
ATOM     23  C   LIG    1       -3.619   0.486   1.220  0.00  0.00    +0.124 A 
ATOM     24  C   LIG    1       -4.012   1.826   1.194  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1       -3.237   2.805   1.823  0.00  0.00    +0.004 A 
BRANCH  23  26
ATOM     26  O   LIG    1       -4.296  -0.548   0.633  0.00  0.00    -0.491 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -5.388  -0.270  -0.245  0.00  0.00    +0.232 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -4.881   0.102  -1.607  0.00  0.00    +0.027 C 
ATOM     29  C   LIG    1       -4.331  -0.955  -2.531  0.00  0.00    +0.007 C 
ATOM     30  C   LIG    1       -5.646  -0.294  -2.845  0.00  0.00    +0.007 C 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 8