REMARK  Name = BDB020986
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.838   5.128  -1.434  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.748   4.302  -0.558  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.352   2.997  -0.282  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1       -1.992   2.522  -0.548  0.00  0.00    +0.163 C 
ATOM      5  C   LIG    1       -1.889   1.045  -0.447  0.00  0.00    +0.065 A 
ATOM      6  N   LIG    1       -2.916   0.251   0.012  0.00  0.00    -0.312 N 
ATOM      7  C   LIG    1       -2.483  -1.050   0.052  0.00  0.00    +0.199 A 
ATOM      8  N   LIG    1       -1.247  -1.130  -0.385  0.00  0.00    -0.214 NA
ATOM      9  C   LIG    1       -4.235   0.765   0.304  0.00  0.00    +0.144 C 
ATOM     10  C   LIG    1       -0.866   0.152  -0.700  0.00  0.00    +0.095 A 
ATOM     11  C   LIG    1       -4.146   2.235   0.686  0.00  0.00    +0.130 C 
ATOM     12  O   LIG    1       -4.798   4.782  -0.133  0.00  0.00    -0.276 OA
ENDROOT
BRANCH  10  13
ATOM     13  C   LIG    1        0.467   0.468  -1.174  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1        1.570  -0.047  -0.471  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1        2.880   0.240  -0.910  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1        4.208  -0.066  -0.499  0.00  0.00    +0.103 A 
ATOM     17  N   LIG    1        5.125   0.531  -1.272  0.00  0.00    -0.170 NA
ATOM     18  N   LIG    1        4.396   1.165  -2.205  0.00  0.00    -0.266 N 
ATOM     19  C   LIG    1        5.069   1.903  -3.248  0.00  0.00    +0.173 C 
ATOM     20  C   LIG    1        3.039   1.044  -2.039  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1        1.956   1.554  -2.768  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1        0.668   1.244  -2.318  0.00  0.00    +0.012 A 
BRANCH  16  23
ATOM     23  C   LIG    1        4.603  -0.899   0.633  0.00  0.00    +0.040 A 
ATOM     24  C   LIG    1        5.799  -0.875   1.318  0.00  0.00    +0.118 A 
ATOM     25  N   LIG    1        5.706  -1.840   2.273  0.00  0.00    -0.274 N 
ATOM     26  C   LIG    1        6.710  -2.200   3.244  0.00  0.00    +0.172 C 
ATOM     27  N   LIG    1        4.532  -2.501   2.259  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1        3.869  -1.935   1.242  0.00  0.00    +0.144 A 
ENDBRANCH  16  23
ENDBRANCH  10  13
BRANCH   7  29
ATOM     29  N   LIG    1       -3.288  -2.068   0.458  0.00  0.00    -0.297 N 
ATOM     30  C   LIG    1       -3.521  -2.171   1.920  0.00  0.00    +0.136 C 
ATOM     31  C   LIG    1       -2.932  -3.466   2.497  0.00  0.00    +0.179 C 
ATOM     32  O   LIG    1       -3.498  -4.647   1.909  0.00  0.00    -0.377 OA
ATOM     33  C   LIG    1       -3.795  -4.489   0.511  0.00  0.00    +0.179 C 
ATOM     34  C   LIG    1       -2.980  -3.378  -0.168  0.00  0.00    +0.136 C 
ENDBRANCH   7  29
TORSDOF 3