REMARK  Name = BDB014125
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.412  -0.131   0.645  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1        0.450   1.088   0.867  0.00  0.00    +0.161 C 
ATOM      3  C   LIG    1        1.637   0.439   1.439  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1        1.543  -0.914   1.513  0.00  0.00    +0.083 A 
ATOM      5  C   LIG    1        2.750  -1.335   2.047  0.00  0.00    +0.079 A 
ATOM      6  N   LIG    1        3.562  -0.294   2.308  0.00  0.00    -0.175 NA
ATOM      7  N   LIG    1        2.848   0.793   1.913  0.00  0.00    -0.268 N 
ATOM      8  C   LIG    1        3.426   2.108   2.020  0.00  0.00    +0.172 C 
ATOM      9  C   LIG    1        0.272  -1.335   1.020  0.00  0.00    +0.255 C 
ATOM     10  O   LIG    1       -0.106  -2.494   0.971  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  17
ATOM     11  C   LIG    1       -4.468  -3.448  -0.878  0.00  0.00    +0.088 C 
ATOM     12  C   LIG    1       -4.709  -1.988  -0.910  0.00  0.00    +0.135 A 
ATOM     13  N   LIG    1       -3.779  -1.041  -0.537  0.00  0.00    -0.283 N 
ATOM     14  C   LIG    1       -4.414   0.172  -0.714  0.00  0.00    +0.182 A 
ATOM     15  C   LIG    1       -3.686   1.364  -0.403  0.00  0.00    +0.072 A 
ATOM     16  C   LIG    1       -2.410   1.224   0.027  0.00  0.00    +0.051 A 
ATOM     17  C   LIG    1       -1.735  -0.074   0.199  0.00  0.00    +0.056 A 
ATOM     18  N   LIG    1       -5.630  -0.027  -1.178  0.00  0.00    -0.128 NA
ATOM     19  C   LIG    1       -2.469  -1.169  -0.088  0.00  0.00    +0.118 A 
ATOM     20  N   LIG    1       -5.815  -1.385  -1.300  0.00  0.00    -0.134 NA
BRANCH  15  21
ATOM     21  N   LIG    1       -4.287   2.605  -0.539  0.00  0.00    -0.355 N 
ATOM     22  H   LIG    1       -5.132   2.537  -1.111  0.00  0.00    +0.142 HD
ATOM     23  H   LIG    1       -3.658   3.324  -0.881  0.00  0.00    +0.142 HD
ENDBRANCH  15  21
ENDBRANCH   1  17
BRANCH   2  24
ATOM     24  C   LIG    1        0.774   1.861  -0.400  0.00  0.00    -0.021 A 
ATOM     25  C   LIG    1        1.134   1.213  -1.595  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1        1.443   1.948  -2.742  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        1.400   3.339  -2.705  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1        1.778   4.245  -4.117  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1        1.054   4.002  -1.530  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        0.746   3.268  -0.382  0.00  0.00    +0.007 A 
ENDBRANCH   2  24
BRANCH   5  31
ATOM     31  C   LIG    1        3.129  -2.808   2.331  0.00  0.00    +0.040 C 
ATOM     32  C   LIG    1        4.511  -3.299   1.987  0.00  0.00    +0.010 C 
ATOM     33  C   LIG    1        3.336  -3.746   1.169  0.00  0.00    +0.010 C 
ENDBRANCH   5  31
TORSDOF 4