REMARK  Name = BDB012627
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.639  -1.146   0.953  0.00  0.00    -0.332 N 
ATOM      2  C   LIG    1       -0.884  -0.116   1.436  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        0.373  -0.304   0.897  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        0.388  -1.439   0.108  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -0.834  -1.921   0.167  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        1.527   0.557   1.120  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        1.349   1.633   1.927  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        2.419   2.429   2.132  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        3.664   2.206   1.570  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        3.838   1.096   0.740  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        2.744   0.258   0.514  0.00  0.00    +0.040 A 
BRANCH  10  12
ATOM     12  C   LIG    1        5.137   0.846   0.141  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1        6.236   1.645   0.340  0.00  0.00    -0.130 NA
ATOM     14  N   LIG    1        7.251   1.139  -0.346  0.00  0.00    -0.068 NA
ATOM     15  N   LIG    1        6.804   0.040  -0.969  0.00  0.00    -0.264 N 
ATOM     16  H   LIG    1        7.447  -0.488  -1.548  0.00  0.00    +0.190 HD
ATOM     17  C   LIG    1        5.488  -0.188  -0.698  0.00  0.00    +0.135 A 
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  18
ATOM     18  C   LIG    1       -3.035  -1.403   1.256  0.00  0.00    +0.160 C 
BRANCH  18  21
ATOM     19  F   LIG    1       -4.000  -2.994  -0.845  0.00  0.00    -0.204 F 
ATOM     20  C   LIG    1       -4.376  -1.705  -0.853  0.00  0.00    +0.146 A 
ATOM     21  C   LIG    1       -3.933  -0.866   0.176  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1       -4.318   0.483   0.156  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1       -5.137   0.971  -0.866  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -5.577   0.119  -1.881  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1       -5.194  -1.221  -1.873  0.00  0.00    +0.076 A 
ATOM     26 CL   LIG    1       -5.738  -2.264  -3.130  0.00  0.00    -0.081 Cl
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 4