REMARK  Name = BDB060352
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.629  -0.844   1.610  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -1.587   0.132   1.885  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1       -2.724   0.230   1.078  0.00  0.00    +0.011 A 
ATOM      4  C   LIG    1       -2.915  -0.652   0.002  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1       -1.967  -1.657  -0.238  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1       -0.825  -1.753   0.564  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        5.844  -0.734   0.441  0.00  0.00    +0.216 C 
ATOM      8  N   LIG    1        4.521  -0.770   0.868  0.00  0.00    -0.298 N 
ATOM      9  C   LIG    1        4.239  -1.518   2.099  0.00  0.00    +0.126 C 
ATOM     10  C   LIG    1        2.969  -1.040   2.808  0.00  0.00    +0.127 C 
ATOM     11  N   LIG    1        1.826  -0.930   1.897  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        0.559  -0.957   2.485  0.00  0.00    +0.247 C 
ATOM     13  O   LIG    1        0.369  -1.096   3.690  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1        2.104  -0.158   0.680  0.00  0.00    +0.127 C 
ATOM     15  C   LIG    1        3.374  -0.634  -0.038  0.00  0.00    +0.126 C 
ATOM     16  O   LIG    1        6.763  -1.212   1.110  0.00  0.00    -0.276 OA
BRANCH   7  17
ATOM     17  C   LIG    1        6.159  -0.042  -0.875  0.00  0.00    +0.099 C 
BRANCH  17  19
ATOM     18  C   LIG    1        6.074   2.100  -2.182  0.00  0.00    +0.008 C 
ATOM     19  C   LIG    1        6.035   1.486  -0.782  0.00  0.00    -0.008 C 
ATOM     20  C   LIG    1        7.149   2.084   0.081  0.00  0.00    +0.008 C 
ENDBRANCH  17  19
ENDBRANCH   7  17
ENDBRANCH   1  12
BRANCH   4  21
ATOM     21  C   LIG    1       -4.158  -0.506  -0.820  0.00  0.00    +0.092 A 
ATOM     22  N   LIG    1       -5.202   0.035  -0.270  0.00  0.00    -0.166 NA
ATOM     23  N   LIG    1       -6.298   0.137  -1.068  0.00  0.00    -0.226 N 
ATOM     24  C   LIG    1       -6.385  -0.315  -2.373  0.00  0.00    +0.085 A 
ATOM     25  C   LIG    1       -7.668  -0.092  -2.814  0.00  0.00    +0.069 A 
ATOM     26  C   LIG    1       -8.379   0.522  -1.764  0.00  0.00    +0.055 A 
ATOM     27 CL   LIG    1       -8.325  -0.457  -4.338  0.00  0.00    -0.081 Cl
ATOM     28  C   LIG    1       -5.225  -0.869  -2.960  0.00  0.00    +0.031 A 
ATOM     29  C   LIG    1       -7.514   0.677  -0.686  0.00  0.00    +0.129 A 
ATOM     30  C   LIG    1       -4.105  -0.973  -2.236  0.00  0.00    +0.032 A 
BRANCH  29  31
ATOM     31  C   LIG    1       -7.760   1.289   0.597  0.00  0.00    +0.260 C 
ATOM     32  O   LIG    1       -6.914   1.743   1.360  0.00  0.00    -0.269 OA
ATOM     33  N   LIG    1       -9.077   1.355   0.965  0.00  0.00    -0.324 N 
ATOM     34  H   LIG    1       -9.775   0.778   0.523  0.00  0.00    +0.145 HD
ATOM     35  H   LIG    1       -9.243   1.657   1.915  0.00  0.00    +0.145 HD
ENDBRANCH  29  31
ENDBRANCH   4  21
TORSDOF 5