REMARK  Name = BDB021240
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.363   0.344  -0.339  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1       -1.688   0.407   0.916  0.00  0.00    +0.152 A 
ATOM      3  N   LIG    1       -0.307   0.451   0.879  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        0.132   0.577   2.176  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -1.008   0.558   2.944  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1        0.424   0.400  -0.320  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.199   0.357  -1.465  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -2.131   0.439   2.161  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1       -1.579   0.336  -1.440  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1       -7.178   1.102  -1.714  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1       -5.912   0.639  -1.099  0.00  0.00    +0.061 A 
ATOM     12  N   LIG    1       -5.923  -0.330  -0.181  0.00  0.00    -0.176 NA
ATOM     13  N   LIG    1       -4.626  -0.486   0.165  0.00  0.00    -0.266 N 
ATOM     14  C   LIG    1       -4.315  -1.513   1.133  0.00  0.00    +0.173 C 
ATOM     15  C   LIG    1       -3.777   0.348  -0.530  0.00  0.00    +0.074 A 
ATOM     16  C   LIG    1       -4.601   1.087  -1.360  0.00  0.00    +0.052 A 
ENDBRANCH   1  15
BRANCH   5  17
ATOM     17  C   LIG    1       -1.092   0.648   4.370  0.00  0.00    +0.121 C 
ATOM     18  N   LIG    1       -1.128   0.712   5.530  0.00  0.00    -0.189 NA
ENDBRANCH   5  17
BRANCH   6  19
ATOM     19  N   LIG    1        1.800   0.420  -0.298  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1        2.121   0.651  -1.238  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1        2.515  -0.777   0.138  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.992  -0.483   0.195  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1        4.856  -0.588  -0.935  0.00  0.00    -0.003 A 
ATOM     24  C   LIG    1        6.212  -0.273  -0.776  0.00  0.00    +0.020 A 
ATOM     25  S   LIG    1        7.087  -0.461  -2.249  0.00  0.00    -0.097 S 
ATOM     26  C   LIG    1        5.697  -0.951  -3.101  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1        6.741   0.144   0.461  0.00  0.00    +0.018 A 
ATOM     28  C   LIG    1        5.885   0.250   1.554  0.00  0.00    +0.040 A 
ATOM     29  C   LIG    1        4.583  -0.977  -2.295  0.00  0.00    +0.016 A 
ATOM     30  C   LIG    1        4.542  -0.056   1.415  0.00  0.00    +0.129 A 
ATOM     31  F   LIG    1        3.750   0.058   2.492  0.00  0.00    -0.205 F 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 5