REMARK  Name = BDB018155
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.444   1.119   0.623  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1        0.335  -0.028   1.622  0.00  0.00    +0.122 C 
ATOM      3  C   LIG    1        1.658  -0.271   2.347  0.00  0.00    +0.198 C 
ATOM      4  C   LIG    1        2.408  -1.234   1.407  0.00  0.00    +0.252 C 
ATOM      5  O   LIG    1        1.399  -1.878   0.564  0.00  0.00    -0.344 OA
ATOM      6  C   LIG    1        0.111  -1.414   1.000  0.00  0.00    +0.192 C 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        3.412  -0.610   0.547  0.00  0.00    -0.303 N 
ATOM      8  C   LIG    1        4.464   0.148   1.007  0.00  0.00    +0.148 A 
ATOM      9  C   LIG    1        5.196   0.585  -0.089  0.00  0.00    +0.058 A 
ATOM     10  C   LIG    1        6.289   1.419   0.172  0.00  0.00    +0.129 A 
ATOM     11  N   LIG    1        6.573   1.734   1.447  0.00  0.00    -0.220 NA
ATOM     12  C   LIG    1        5.785   1.237   2.420  0.00  0.00    +0.225 A 
ATOM     13  C   LIG    1        4.589   0.019  -1.244  0.00  0.00    +0.033 A 
ATOM     14  N   LIG    1        4.715   0.439   2.294  0.00  0.00    -0.218 NA
ATOM     15  C   LIG    1        3.507  -0.723  -0.825  0.00  0.00    +0.091 A 
BRANCH  10  16
ATOM     16  N   LIG    1        7.109   1.944  -0.816  0.00  0.00    -0.343 N 
ATOM     17  H   LIG    1        7.982   2.266  -0.426  0.00  0.00    +0.144 HD
ATOM     18  H   LIG    1        7.170   1.394  -1.658  0.00  0.00    +0.144 HD
ENDBRANCH  10  16
ENDBRANCH   4   7
BRANCH   3  19
ATOM     19  O   LIG    1        1.376  -0.930   3.601  0.00  0.00    -0.384 OA
ATOM     20  H   LIG    1        0.617  -0.434   3.968  0.00  0.00    +0.210 HD
ENDBRANCH   3  19
BRANCH   2  21
ATOM     21  O   LIG    1       -0.685   0.310   2.567  0.00  0.00    -0.383 OA
ATOM     22  H   LIG    1       -1.542   0.204   2.104  0.00  0.00    +0.210 HD
ENDBRANCH   2  21
BRANCH   6  23
ATOM     23  C   LIG    1       -0.905  -1.454  -0.142  0.00  0.00    +0.263 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -2.140  -0.945   0.362  0.00  0.00    -0.489 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -3.152  -0.734  -0.526  0.00  0.00    +0.123 A 
ATOM     26  C   LIG    1       -4.332  -0.245   0.046  0.00  0.00    +0.074 A 
ATOM     27  C   LIG    1       -5.453   0.050  -0.711  0.00  0.00    +0.074 A 
ATOM     28  C   LIG    1       -5.385  -0.154  -2.100  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -6.516   0.155  -2.864  0.00  0.00    +0.011 A 
ATOM     30  C   LIG    1       -7.658   0.645  -2.244  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -7.630   0.806  -0.876  0.00  0.00    +0.111 A 
ATOM     32  C   LIG    1       -4.208  -0.654  -2.682  0.00  0.00    +0.013 A 
ATOM     33  N   LIG    1       -6.559   0.519  -0.108  0.00  0.00    -0.255 NA
ATOM     34  C   LIG    1       -3.096  -0.949  -1.895  0.00  0.00    +0.046 A 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 7