REMARK  Name = BDB012795
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.128   1.864  -0.609  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1        0.400   1.729  -0.489  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        0.888   1.447  -1.840  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1        2.049   0.756  -2.164  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1        2.174   0.202  -3.255  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -0.213   1.448  -2.786  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1       -1.318   2.225  -2.086  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -1.254  -3.019  -0.363  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1       -1.957  -1.715  -0.131  0.00  0.00    +0.039 A 
ATOM     10  N   LIG    1       -1.280  -0.585  -0.436  0.00  0.00    -0.256 NA
ATOM     11  C   LIG    1       -1.887   0.606  -0.238  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -3.187   0.700   0.252  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1       -3.885  -0.469   0.566  0.00  0.00    -0.012 A 
ATOM     14  C   LIG    1       -3.251  -1.697   0.373  0.00  0.00    +0.031 A 
BRANCH  13  15
ATOM     15  C   LIG    1       -5.239  -0.420   1.089  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -6.174   0.553   0.797  0.00  0.00    +0.116 A 
ATOM     17  N   LIG    1       -7.309   0.212   1.475  0.00  0.00    -0.274 N 
ATOM     18  C   LIG    1       -8.566   0.920   1.480  0.00  0.00    +0.172 C 
ATOM     19  N   LIG    1       -7.185  -0.918   2.192  0.00  0.00    -0.179 NA
ATOM     20  C   LIG    1       -5.929  -1.303   1.954  0.00  0.00    +0.142 A 
ENDBRANCH  13  15
ENDBRANCH   1  11
BRANCH   4  21
ATOM     21  C   LIG    1        3.108   0.726  -1.187  0.00  0.00    +0.121 A 
ATOM     22  N   LIG    1        3.478   1.749  -0.368  0.00  0.00    -0.272 N 
ATOM     23  H   LIG    1        3.081   2.681  -0.328  0.00  0.00    +0.189 HD
ATOM     24  N   LIG    1        4.496   1.463   0.454  0.00  0.00    -0.173 NA
ATOM     25  C   LIG    1        4.870   0.217   0.110  0.00  0.00    +0.093 A 
ATOM     26  C   LIG    1        4.030  -0.269  -0.930  0.00  0.00    +0.062 A 
BRANCH  25  27
ATOM     27  C   LIG    1        5.995  -0.461   0.767  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        6.670   0.152   1.835  0.00  0.00    +0.010 A 
ATOM     29  C   LIG    1        7.741  -0.484   2.470  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        8.154  -1.744   2.045  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        7.497  -2.367   0.986  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        6.425  -1.730   0.351  0.00  0.00    +0.010 A 
ENDBRANCH  25  27
ENDBRANCH   4  21
TORSDOF 4