REMARK  Name = BDB034751
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.499  -0.499  -0.150  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.845  -0.247  -0.492  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -1.397   0.970  -0.144  0.00  0.00    +0.072 A 
ATOM      4  N   LIG    1       -2.685   1.481  -0.364  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -2.777   2.762   0.228  0.00  0.00    +0.330 A 
ATOM      6  N   LIG    1       -1.504   3.035   0.771  0.00  0.00    -0.295 N 
ATOM      7  C   LIG    1       -1.140   4.219   1.492  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -3.767   3.476   0.273  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -0.669   1.933   0.552  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1        0.634   1.716   0.929  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        1.208   0.484   0.581  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        1.035  -1.768  -0.466  0.00  0.00    -0.298 N 
ATOM     13  H   LIG    1        0.480  -2.264  -1.157  0.00  0.00    +0.154 HD
BRANCH  12  16
ATOM     14  C   LIG    1        4.651  -1.880  -0.234  0.00  0.00    +0.182 A 
ATOM     15  N   LIG    1        3.395  -1.389  -0.230  0.00  0.00    -0.209 NA
ATOM     16  C   LIG    1        2.378  -2.228  -0.501  0.00  0.00    +0.145 A 
ATOM     17  C   LIG    1        2.620  -3.574  -0.768  0.00  0.00    +0.099 A 
ATOM     18 CL   LIG    1        1.367  -4.698  -1.127  0.00  0.00    -0.078 Cl
ATOM     19  C   LIG    1        3.936  -3.984  -0.754  0.00  0.00    +0.136 A 
ATOM     20  N   LIG    1        4.972  -3.164  -0.493  0.00  0.00    -0.233 NA
BRANCH  14  24
ATOM     21  C   LIG    1        7.002   2.199   0.957  0.00  0.00    +0.172 C 
ATOM     22  N   LIG    1        6.825   0.814   0.595  0.00  0.00    -0.274 N 
ATOM     23  N   LIG    1        5.585   0.339   0.399  0.00  0.00    -0.168 NA
ATOM     24  C   LIG    1        5.760  -0.959   0.073  0.00  0.00    +0.130 A 
ATOM     25  C   LIG    1        7.150  -1.278   0.080  0.00  0.00    +0.052 A 
ATOM     26  C   LIG    1        7.802  -0.117   0.418  0.00  0.00    +0.108 A 
ENDBRANCH  14  24
ENDBRANCH  12  16
ENDBRANCH   1  12
BRANCH   4  27
ATOM     27  C   LIG    1       -3.788   0.777  -0.971  0.00  0.00    +0.130 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -4.600   0.007   0.076  0.00  0.00    +0.056 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -5.822  -0.733  -0.496  0.00  0.00    +0.062 C 
ATOM     30  C   LIG    1       -6.649  -1.336   0.643  0.00  0.00    +0.041 C 
ATOM     31  C   LIG    1       -5.422  -1.835  -1.479  0.00  0.00    +0.041 C 
BRANCH  29  32
ATOM     32  O   LIG    1       -6.652   0.188  -1.204  0.00  0.00    -0.389 OA
ATOM     33  H   LIG    1       -6.912   0.898  -0.589  0.00  0.00    +0.210 HD
ENDBRANCH  29  32
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   4  27
TORSDOF 7