REMARK  Name = BDB012432
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.512   0.174   0.141  0.00  0.00    -0.234 N 
ATOM      2  C   LIG    1        1.275   0.726   0.304  0.00  0.00    +0.082 A 
ATOM      3  C   LIG    1       -0.134   0.302   0.372  0.00  0.00    +0.161 C 
ATOM      4  N   LIG    1       -0.793   1.643   0.611  0.00  0.00    -0.253 N 
ATOM      5  C   LIG    1        0.156   2.707   0.570  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1        0.011   3.910   0.696  0.00  0.00    -0.269 OA
ATOM      7  C   LIG    1        1.422   2.076   0.370  0.00  0.00    +0.083 A 
ATOM      8  C   LIG    1        2.772   2.331   0.193  0.00  0.00    +0.073 A 
ATOM      9  C   LIG    1        3.468   3.637   0.156  0.00  0.00    +0.068 C 
ATOM     10  N   LIG    1        3.442   1.179   0.010  0.00  0.00    -0.171 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -2.160   1.781   0.878  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -2.963   0.729   1.132  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1       -4.316   0.858   1.405  0.00  0.00    -0.316 N 
ATOM     14  C   LIG    1       -5.088  -0.347   1.668  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1       -4.957   2.093   1.450  0.00  0.00    +0.254 A 
ATOM     16  O   LIG    1       -6.148   2.245   1.707  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1       -4.093   3.276   1.157  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1       -4.760   4.614   1.166  0.00  0.00    +0.049 C 
ATOM     19  C   LIG    1       -2.788   3.094   0.892  0.00  0.00    +0.033 A 
ENDBRANCH   4  11
BRANCH   3  20
ATOM     20  C   LIG    1       -0.617  -0.358  -0.915  0.00  0.00    -0.021 A 
ATOM     21  C   LIG    1       -1.115  -1.673  -0.892  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -1.556  -2.293  -2.064  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -1.508  -1.605  -3.273  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -2.053  -2.370  -4.714  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -1.023  -0.302  -3.320  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -0.580   0.318  -2.149  0.00  0.00    +0.007 A 
ENDBRANCH   3  20
BRANCH   1  30
ATOM     27  C   LIG    1        3.828  -3.854   0.021  0.00  0.00    +0.120 A 
ATOM     28  C   LIG    1        2.545  -3.547   0.479  0.00  0.00    +0.048 A 
ATOM     29  C   LIG    1        2.094  -2.223   0.530  0.00  0.00    +0.031 A 
ATOM     30  C   LIG    1        2.927  -1.184   0.110  0.00  0.00    +0.066 A 
ATOM     31  C   LIG    1        4.225  -1.492  -0.329  0.00  0.00    +0.031 A 
ATOM     32  C   LIG    1        4.670  -2.819  -0.379  0.00  0.00    +0.048 A 
BRANCH  27  34
ATOM     33  C   LIG    1        5.425  -5.550  -0.445  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1        4.132  -5.186   0.025  0.00  0.00    -0.495 OA
ENDBRANCH  27  34
ENDBRANCH   1  30
TORSDOF 4