REMARK  Name = BDB052479
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.389  -3.559  -0.111  0.00  0.00    +0.077 A 
ATOM      2  C   LIG    1        0.862  -2.950  -0.283  0.00  0.00    +0.108 A 
ATOM      3  C   LIG    1        2.045  -3.668  -0.384  0.00  0.00    +0.180 A 
ATOM      4  N   LIG    1        3.118  -2.841  -0.552  0.00  0.00    -0.208 NA
ATOM      5  C   LIG    1        2.636  -1.610  -0.554  0.00  0.00    +0.141 A 
ATOM      6  N   LIG    1        2.109  -5.015  -0.326  0.00  0.00    -0.233 NA
ATOM      7  C   LIG    1        0.908  -5.615  -0.160  0.00  0.00    +0.135 A 
ATOM      8  N   LIG    1        1.268  -1.647  -0.399  0.00  0.00    -0.335 N 
ATOM      9  H   LIG    1        0.658  -0.847  -0.388  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1       -0.321  -4.967  -0.052  0.00  0.00    +0.082 A 
ATOM     11 CL   LIG    1       -1.745  -5.926   0.154  0.00  0.00    -0.080 Cl
ENDROOT
BRANCH   1  15
ATOM     12  N   LIG    1       -3.723  -0.835   0.105  0.00  0.00    -0.293 NA
ATOM     13  C   LIG    1       -3.183  -1.477   1.315  0.00  0.00    +0.104 C 
ATOM     14  C   LIG    1       -1.750  -2.047   1.202  0.00  0.00    +0.120 C 
ATOM     15  N   LIG    1       -1.610  -2.877  -0.007  0.00  0.00    -0.325 N 
ATOM     16  C   LIG    1       -2.046  -2.220  -1.251  0.00  0.00    +0.120 C 
ATOM     17  C   LIG    1       -3.474  -1.651  -1.094  0.00  0.00    +0.104 C 
BRANCH  12  19
ATOM     18  C   LIG    1       -2.069   1.093  -0.045  0.00  0.00    +0.029 C 
ATOM     19  C   LIG    1       -3.527   0.614  -0.042  0.00  0.00    +0.084 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.428   1.373   0.939  0.00  0.00    -0.031 A 
ATOM     21  C   LIG    1       -3.941   2.128   2.018  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1       -4.816   2.798   2.878  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -6.192   2.721   2.678  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -6.697   1.972   1.621  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.823   1.303   0.761  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH  12  19
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  C   LIG    1        3.419  -0.380  -0.714  0.00  0.00    +0.017 A 
ATOM     27  C   LIG    1        2.881   0.894  -0.527  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        3.674   2.043  -0.696  0.00  0.00    +0.024 A 
ATOM     29  C   LIG    1        5.034   1.978  -1.046  0.00  0.00    +0.029 A 
ATOM     30  C   LIG    1        5.549   0.686  -1.241  0.00  0.00    +0.024 A 
ATOM     31  C   LIG    1        4.765  -0.467  -1.072  0.00  0.00    +0.013 A 
BRANCH  29  32
ATOM     32  N   LIG    1        5.806   3.131  -1.231  0.00  0.00    -0.336 N 
ATOM     33  C   LIG    1        5.385   4.366  -0.570  0.00  0.00    +0.129 C 
ATOM     34  C   LIG    1        7.245   2.997  -1.452  0.00  0.00    +0.129 C 
ENDBRANCH  29  32
ENDBRANCH   5  26
TORSDOF 5