REMARK  Name = BDB018140
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.343   0.367  -2.028  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1       -0.229  -1.124  -1.701  0.00  0.00    +0.122 C 
ATOM      3  C   LIG    1       -1.597  -1.800  -1.579  0.00  0.00    +0.198 C 
ATOM      4  C   LIG    1       -1.982  -1.559  -0.108  0.00  0.00    +0.252 C 
ATOM      5  O   LIG    1       -0.753  -1.257   0.605  0.00  0.00    -0.344 OA
ATOM      6  C   LIG    1        0.349  -1.426  -0.313  0.00  0.00    +0.192 C 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -2.933  -0.470   0.099  0.00  0.00    -0.303 N 
ATOM      8  C   LIG    1       -4.207  -0.456  -0.421  0.00  0.00    +0.148 A 
ATOM      9  C   LIG    1       -4.832   0.713  -0.009  0.00  0.00    +0.058 A 
ATOM     10  C   LIG    1       -6.147   0.915  -0.450  0.00  0.00    +0.129 A 
ATOM     11  N   LIG    1       -6.724  -0.021  -1.229  0.00  0.00    -0.220 NA
ATOM     12  C   LIG    1       -6.003  -1.111  -1.555  0.00  0.00    +0.225 A 
ATOM     13  C   LIG    1       -3.898   1.417   0.798  0.00  0.00    +0.033 A 
ATOM     14  N   LIG    1       -4.742  -1.410  -1.200  0.00  0.00    -0.218 NA
ATOM     15  C   LIG    1       -2.748   0.660   0.863  0.00  0.00    +0.091 A 
BRANCH  10  16
ATOM     16  N   LIG    1       -6.910   2.025  -0.115  0.00  0.00    -0.343 N 
ATOM     17  H   LIG    1       -6.683   2.436   0.780  0.00  0.00    +0.144 HD
ATOM     18  H   LIG    1       -7.892   1.843  -0.288  0.00  0.00    +0.144 HD
ENDBRANCH  10  16
ENDBRANCH   4   7
BRANCH   3  19
ATOM     19  O   LIG    1       -1.446  -3.216  -1.822  0.00  0.00    -0.384 OA
ATOM     20  H   LIG    1       -0.641  -3.321  -2.369  0.00  0.00    +0.210 HD
ENDBRANCH   3  19
BRANCH   2  21
ATOM     21  O   LIG    1        0.541  -1.756  -2.732  0.00  0.00    -0.383 OA
ATOM     22  H   LIG    1        0.183  -1.472  -3.594  0.00  0.00    +0.210 HD
ENDBRANCH   2  21
BRANCH   6  23
ATOM     23  C   LIG    1        1.534  -0.550   0.101  0.00  0.00    +0.263 C 
BRANCH  23  24
ATOM     24  O   LIG    1        2.112  -1.099   1.291  0.00  0.00    -0.489 OA
BRANCH  24  25
ATOM     25  C   LIG    1        3.174  -0.431   1.836  0.00  0.00    +0.121 A 
ATOM     26  C   LIG    1        3.792   0.704   1.308  0.00  0.00    +0.050 A 
ATOM     27  C   LIG    1        4.880   1.300   1.971  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        5.351   0.731   3.162  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        4.738  -0.403   3.690  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        3.654  -0.979   3.028  0.00  0.00    +0.045 A 
BRANCH  27  31
ATOM     31  C   LIG    1        5.561   2.509   1.382  0.00  0.00    +0.113 C 
BRANCH  31  32
ATOM     32  N   LIG    1        6.636   2.122   0.477  0.00  0.00    -0.326 NA
ATOM     33  H   LIG    1        7.305   1.551   0.993  0.00  0.00    +0.119 HD
ATOM     34  H   LIG    1        6.255   1.506  -0.240  0.00  0.00    +0.119 HD
ENDBRANCH  31  32
ENDBRANCH  27  31
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 9