REMARK  Name = BDB012621
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.086   0.428  -0.409  0.00  0.00    -0.336 N 
ATOM      2  C   LIG    1        0.967  -0.243  -0.961  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        2.080   0.209  -0.281  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        1.711   1.147   0.666  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1        0.406   1.258   0.556  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        3.451  -0.227  -0.515  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        3.646  -1.166  -1.475  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        4.915  -1.569  -1.689  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        6.006  -1.081  -0.992  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        5.797  -0.115  -0.006  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        4.490   0.317   0.233  0.00  0.00    +0.040 A 
BRANCH  10  12
ATOM     12  C   LIG    1        6.929   0.409   0.737  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1        8.227   0.007   0.532  0.00  0.00    -0.130 NA
ATOM     14  N   LIG    1        9.009   0.677   1.369  0.00  0.00    -0.068 NA
ATOM     15  N   LIG    1        8.221   1.488   2.089  0.00  0.00    -0.264 N 
ATOM     16  H   LIG    1        8.647   2.085   2.788  0.00  0.00    +0.190 HD
ATOM     17  C   LIG    1        6.912   1.359   1.733  0.00  0.00    +0.135 A 
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  18
ATOM     18  C   LIG    1       -1.478   0.294  -0.788  0.00  0.00    +0.127 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.167  -0.837  -0.026  0.00  0.00    +0.057 C 
BRANCH  19  24
ATOM     20  C   LIG    1       -6.729   1.428   1.287  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -7.003   0.489   0.294  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1       -5.980  -0.295  -0.263  0.00  0.00    -0.018 A 
ATOM     23  C   LIG    1       -4.641  -0.141   0.182  0.00  0.00    -0.015 A 
ATOM     24  C   LIG    1       -3.629  -0.951  -0.407  0.00  0.00    -0.038 A 
ATOM     25  C   LIG    1       -3.969  -1.876  -1.410  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -5.286  -2.017  -1.832  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -4.398   0.819   1.192  0.00  0.00    +0.009 A 
ATOM     28  C   LIG    1       -6.283  -1.231  -1.262  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1       -5.427   1.592   1.737  0.00  0.00    +0.001 A 
ENDBRANCH  19  24
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 5