REMARK  Name = BDB022329
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.213  -0.509   0.382  0.00  0.00    +0.033 A 
ATOM      2  C   LIG    1       -1.187  -0.384   0.385  0.00  0.00    +0.035 A 
ATOM      3  C   LIG    1       -1.870   0.596  -0.370  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1       -3.358   0.692  -0.363  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -3.902   1.759  -0.964  0.00  0.00    +0.093 A 
ATOM      6  C   LIG    1       -3.128   2.775  -1.705  0.00  0.00    +0.253 A 
ATOM      7  N   LIG    1       -1.762   2.580  -1.805  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1       -0.984   3.546  -2.564  0.00  0.00    +0.152 C 
ATOM      9  O   LIG    1       -3.740   3.715  -2.211  0.00  0.00    -0.268 OA
ATOM     10  C   LIG    1       -1.111   1.509  -1.125  0.00  0.00    +0.054 A 
ATOM     11  C   LIG    1        0.282   1.359  -1.170  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        0.928   0.352  -0.444  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1        0.794  -1.558   1.125  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        0.169  -1.913   1.843  0.00  0.00    +0.154 HD
BRANCH  13  17
ATOM     15  C   LIG    1        4.406  -1.258   1.417  0.00  0.00    +0.253 A 
ATOM     16  N   LIG    1        3.122  -0.969   1.099  0.00  0.00    -0.194 NA
ATOM     17  C   LIG    1        2.143  -1.810   1.484  0.00  0.00    +0.147 A 
ATOM     18  C   LIG    1        2.446  -2.971   2.188  0.00  0.00    +0.099 A 
ATOM     19 CL   LIG    1        1.250  -4.091   2.712  0.00  0.00    -0.078 Cl
ATOM     20  C   LIG    1        3.775  -3.191   2.475  0.00  0.00    +0.138 A 
ATOM     21  N   LIG    1        4.770  -2.358   2.109  0.00  0.00    -0.217 NA
BRANCH  15  25
ATOM     22  C   LIG    1        6.272   2.673  -0.746  0.00  0.00    +0.067 C 
ATOM     23  C   LIG    1        6.256   1.404   0.021  0.00  0.00    +0.061 A 
ATOM     24  N   LIG    1        5.101   0.782   0.259  0.00  0.00    -0.169 NA
ATOM     25  N   LIG    1        5.431  -0.335   0.979  0.00  0.00    -0.202 N 
ATOM     26  C   LIG    1        6.808  -0.404   1.183  0.00  0.00    +0.045 A 
ATOM     27  C   LIG    1        7.500  -1.488   1.924  0.00  0.00    +0.066 C 
ATOM     28  C   LIG    1        7.347   0.710   0.572  0.00  0.00    +0.048 A 
ENDBRANCH  15  25
ENDBRANCH  13  17
ENDBRANCH   1  13
BRANCH   4  29
ATOM     29  N   LIG    1       -4.079  -0.326   0.260  0.00  0.00    -0.340 N 
ATOM     30  H   LIG    1       -3.602  -1.221   0.202  0.00  0.00    +0.146 HD
BRANCH  29  31
ATOM     31  C   LIG    1       -5.529  -0.497   0.278  0.00  0.00    +0.070 C 
ATOM     32  C   LIG    1       -5.910  -1.184   1.591  0.00  0.00    +0.028 C 
BRANCH  31  33
ATOM     33  C   LIG    1       -5.939  -1.351  -0.894  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1       -7.361  -1.320  -1.402  0.00  0.00    +0.005 C 
ATOM     35  C   LIG    1       -6.255  -0.741  -2.239  0.00  0.00    +0.005 C 
ENDBRANCH  31  33
ENDBRANCH  29  31
ENDBRANCH   4  29
TORSDOF 6