REMARK  Name = BDB012602
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.965   1.951   3.127  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1       -0.865   1.723   2.220  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1       -0.438   0.509   1.722  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        0.635   0.841   0.899  0.00  0.00    +0.115 A 
ATOM      5  N   LIG    1        0.864   2.208   0.927  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1       -0.055   2.701   1.722  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.064  -0.771   2.055  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1       -2.345  -1.115   1.588  0.00  0.00    +0.132 A 
ATOM      9  C   LIG    1       -2.943  -2.320   1.956  0.00  0.00    +0.084 A 
ATOM     10  C   LIG    1       -2.240  -3.204   2.762  0.00  0.00    +0.127 A 
ATOM     11  F   LIG    1       -2.803  -4.369   3.111  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -0.961  -2.901   3.218  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1       -0.375  -1.683   2.868  0.00  0.00    +0.016 A 
BRANCH   8  14
ATOM     14  O   LIG    1       -3.072  -0.243   0.815  0.00  0.00    -0.491 OA
BRANCH  14  15
ATOM     15  C   LIG    1       -2.807  -0.483  -0.574  0.00  0.00    +0.232 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -3.398   0.650  -1.356  0.00  0.00    +0.027 C 
ATOM     17  C   LIG    1       -2.628   1.933  -1.543  0.00  0.00    +0.007 C 
ATOM     18  C   LIG    1       -2.850   1.012  -2.712  0.00  0.00    +0.007 C 
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   8  14
ENDBRANCH   3   7
BRANCH   4  19
ATOM     19  C   LIG    1        1.441  -0.063   0.076  0.00  0.00    +0.092 A 
ATOM     20  N   LIG    1        1.040  -1.352  -0.037  0.00  0.00    -0.253 NA
ATOM     21  C   LIG    1        1.786  -2.171  -0.805  0.00  0.00    +0.112 A 
ATOM     22  C   LIG    1        2.923  -1.768  -1.480  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1        3.332  -0.439  -1.368  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1        2.572   0.425  -0.574  0.00  0.00    +0.040 A 
BRANCH  23  25
ATOM     25  C   LIG    1        4.521   0.007  -2.070  0.00  0.00    +0.112 A 
ATOM     26  N   LIG    1        5.309  -0.818  -2.834  0.00  0.00    -0.130 NA
ATOM     27  N   LIG    1        6.307  -0.101  -3.333  0.00  0.00    -0.068 NA
ATOM     28  N   LIG    1        6.152   1.156  -2.895  0.00  0.00    -0.264 N 
ATOM     29  H   LIG    1        6.828   1.857  -3.177  0.00  0.00    +0.190 HD
ATOM     30  C   LIG    1        5.051   1.278  -2.101  0.00  0.00    +0.135 A 
ENDBRANCH  23  25
ENDBRANCH   4  19
TORSDOF 6