REMARK  Name = BDB012630
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.726  -1.084  -0.961  0.00  0.00    -0.335 N 
ATOM      2  C   LIG    1        0.555  -0.891  -0.516  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        1.106   0.044  -1.372  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        0.181   0.388  -2.339  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -0.896  -0.315  -2.074  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        2.460   0.594  -1.302  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        2.888   1.277  -2.393  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        4.129   1.797  -2.363  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        4.990   1.675  -1.287  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        4.552   0.974  -0.164  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        3.263   0.427  -0.178  0.00  0.00    +0.040 A 
BRANCH  10  12
ATOM     12  C   LIG    1        5.389   0.799   1.011  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1        4.996   0.101   2.127  0.00  0.00    -0.130 NA
ATOM     14  N   LIG    1        5.986   0.131   3.009  0.00  0.00    -0.068 NA
ATOM     15  N   LIG    1        6.987   0.835   2.463  0.00  0.00    -0.264 N 
ATOM     16  H   LIG    1        7.838   0.966   2.997  0.00  0.00    +0.190 HD
ATOM     17  C   LIG    1        6.665   1.275   1.213  0.00  0.00    +0.135 A 
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  18
ATOM     18  C   LIG    1       -1.692  -2.016  -0.408  0.00  0.00    +0.133 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -3.602  -2.544   1.170  0.00  0.00    +0.017 C 
ATOM     20  C   LIG    1       -2.722  -1.403   0.592  0.00  0.00    +0.009 C 
ATOM     21  C   LIG    1       -1.923  -0.881   1.825  0.00  0.00    +0.017 C 
BRANCH  20  22
ATOM     22  C   LIG    1       -3.623  -0.322  -0.062  0.00  0.00    -0.022 A 
ATOM     23  C   LIG    1       -4.508  -0.559  -1.143  0.00  0.00    +0.045 A 
ATOM     24 CL   LIG    1       -4.708  -2.092  -1.920  0.00  0.00    -0.083 Cl
ATOM     25  C   LIG    1       -5.293   0.472  -1.687  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -5.222   1.765  -1.183  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -4.363   2.032  -0.131  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -3.581   1.009   0.417  0.00  0.00    +0.005 A 
ENDBRANCH  20  22
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 5