REMARK  Name = BDB036430
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.401  -0.098  -0.638  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        4.003  -1.059  -1.437  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        5.017  -0.965  -2.101  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        3.186  -2.272  -1.331  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        2.167  -2.033  -0.410  0.00  0.00    -0.013 A 
ATOM      6  C   LIG    1        1.238  -3.025  -0.111  0.00  0.00    -0.025 A 
ATOM      7  C   LIG    1        1.367  -4.255  -0.782  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1        2.406  -4.479  -1.707  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        3.334  -3.477  -1.989  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        2.299  -0.648   0.137  0.00  0.00    +0.145 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1        7.054   3.934   0.239  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        6.183   3.093   0.031  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        6.116   1.945   0.781  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        6.839   1.827   1.477  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        5.145   0.970   0.752  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        5.154   0.061   1.580  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        4.019   1.173  -0.275  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        4.525   1.976  -1.473  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        5.089   3.303  -0.989  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   6  20
ATOM     20  C   LIG    1        0.116  -2.780   0.857  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -0.921  -1.998   0.228  0.00  0.00    -0.305 N 
ATOM     22  H   LIG    1       -1.145  -2.208  -0.734  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1       -1.833  -1.290   0.988  0.00  0.00    +0.280 C 
ATOM     24  O   LIG    1       -1.713  -1.206   2.208  0.00  0.00    -0.267 OA
BRANCH  23  25
ATOM     25  C   LIG    1       -2.911  -0.673   0.237  0.00  0.00    +0.190 A 
ATOM     26  O   LIG    1       -3.894  -0.035   0.944  0.00  0.00    -0.450 OA
ATOM     27  C   LIG    1       -4.803   0.472   0.060  0.00  0.00    +0.136 A 
ATOM     28  C   LIG    1       -4.404   0.164  -1.225  0.00  0.00    +0.050 A 
ATOM     29  C   LIG    1       -3.193  -0.567  -1.114  0.00  0.00    +0.055 A 
BRANCH  27  30
ATOM     30  C   LIG    1       -5.935   1.193   0.639  0.00  0.00    +0.017 A 
ATOM     31  C   LIG    1       -6.063   1.348   2.029  0.00  0.00    +0.013 A 
ATOM     32  C   LIG    1       -7.148   2.040   2.581  0.00  0.00    +0.021 A 
ATOM     33  C   LIG    1       -8.117   2.584   1.745  0.00  0.00    +0.041 A 
ATOM     34 CL   LIG    1       -9.451   3.436   2.418  0.00  0.00    -0.084 Cl
ATOM     35  C   LIG    1       -8.011   2.443   0.364  0.00  0.00    +0.021 A 
ATOM     36  C   LIG    1       -6.925   1.751  -0.185  0.00  0.00    +0.013 A 
ENDBRANCH  27  30
ENDBRANCH  23  25
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 5