REMARK  Name = BDB034974
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.609   1.106  -1.742  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -3.173   0.147  -0.670  0.00  0.00    -0.020 A 
ATOM      3  C   LIG    1       -1.862   0.172  -0.196  0.00  0.00    +0.092 A 
ATOM      4  C   LIG    1       -1.546  -0.757   0.823  0.00  0.00    +0.095 A 
ATOM      5  C   LIG    1       -0.249  -0.746   1.308  0.00  0.00    +0.077 A 
ATOM      6  C   LIG    1        0.699   0.135   0.797  0.00  0.00    +0.148 A 
ATOM      7  C   LIG    1        0.295   1.021  -0.186  0.00  0.00    +0.157 A 
ATOM      8  N   LIG    1       -2.425  -1.640   1.338  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1       -3.674  -1.638   0.854  0.00  0.00    +0.117 A 
ATOM     10  N   LIG    1       -0.959   1.049  -0.694  0.00  0.00    -0.250 NA
ATOM     11  C   LIG    1       -4.090  -0.765  -0.135  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   9  12
ATOM     12  N   LIG    1       -4.565  -2.541   1.424  0.00  0.00    -0.343 N 
ATOM     13  H   LIG    1       -4.040  -3.102   2.090  0.00  0.00    +0.144 HD
ATOM     14  H   LIG    1       -5.021  -3.115   0.725  0.00  0.00    +0.144 HD
ENDBRANCH   9  12
BRANCH   6  15
ATOM     15  O   LIG    1        1.953   0.103   1.355  0.00  0.00    -0.454 OA
BRANCH  15  16
ATOM     16  C   LIG    1        3.020   0.344   0.522  0.00  0.00    +0.129 A 
ATOM     17  C   LIG    1        3.911   1.351   0.890  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1        5.025   1.615   0.093  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        5.252   0.861  -1.059  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        4.372  -0.163  -1.412  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        3.256  -0.429  -0.617  0.00  0.00    +0.046 A 
ENDBRANCH  15  16
ENDBRANCH   6  15
TORSDOF 3