REMARK  Name = BDB045667
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.682   0.275  -0.573  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1        0.270   0.627   0.310  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1        1.535   0.818  -0.111  0.00  0.00    +0.129 A 
ATOM      4  C   LIG    1        1.866   0.692  -1.437  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        0.846   0.342  -2.283  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1       -0.415   0.127  -1.878  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -2.055  -0.243   1.302  0.00  0.00    +0.132 C 
ATOM      8  N   LIG    1       -1.996   0.096  -0.118  0.00  0.00    -0.298 N 
BRANCH   8   9
ATOM      9  C   LIG    1       -2.830  -0.700  -1.024  0.00  0.00    +0.144 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -4.305  -0.490  -0.738  0.00  0.00    -0.010 A 
ATOM     11  C   LIG    1       -5.167  -1.540  -0.385  0.00  0.00    +0.073 A 
ATOM     12 CL   LIG    1       -4.687  -3.174  -0.203  0.00  0.00    -0.081 Cl
ATOM     13  C   LIG    1       -6.534  -1.296  -0.141  0.00  0.00    +0.107 A 
ATOM     14  C   LIG    1       -7.004   0.010  -0.264  0.00  0.00    +0.067 A 
ATOM     15  N   LIG    1       -8.341  -0.074   0.031  0.00  0.00    -0.344 N 
ATOM     16  H   LIG    1       -8.997   0.694   0.040  0.00  0.00    +0.167 HD
ATOM     17  C   LIG    1       -8.631  -1.378   0.312  0.00  0.00    +0.197 A 
ATOM     18  C   LIG    1       -6.191   1.089  -0.615  0.00  0.00    +0.028 A 
ATOM     19  N   LIG    1       -7.568  -2.140   0.218  0.00  0.00    -0.234 NA
ATOM     20  C   LIG    1       -4.838   0.810  -0.850  0.00  0.00    +0.009 A 
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   3  21
ATOM     21  N   LIG    1        2.437   1.170   0.892  0.00  0.00    -0.283 N 
ATOM     22  H   LIG    1        1.915   1.344   1.745  0.00  0.00    +0.155 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.774   1.252   1.009  0.00  0.00    +0.146 A 
ATOM     24  N   LIG    1        4.346   1.824   2.075  0.00  0.00    -0.158 NA
ATOM     25  N   LIG    1        5.664   1.709   1.853  0.00  0.00    -0.280 N 
ATOM     26  H   LIG    1        6.307   2.094   2.537  0.00  0.00    +0.189 HD
ATOM     27  C   LIG    1        5.958   1.044   0.705  0.00  0.00    +0.041 A 
ATOM     28  C   LIG    1        4.752   0.728   0.129  0.00  0.00    +0.068 A 
BRANCH  27  29
ATOM     29  C   LIG    1        7.365   0.725   0.160  0.00  0.00    +0.037 C 
ATOM     30  C   LIG    1        7.724  -0.706  -0.138  0.00  0.00    +0.010 C 
ATOM     31  C   LIG    1        8.338  -0.011   1.042  0.00  0.00    +0.010 C 
ENDBRANCH  27  29
ENDBRANCH  21  23
ENDBRANCH   3  21
TORSDOF 6