REMARK  Name = BDB025443
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.675  -2.013  -1.009  0.00  0.00    +0.142 A 
ATOM      2  C   LIG    1       -0.362  -1.788  -0.586  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1        0.840  -2.648  -0.499  0.00  0.00    +0.059 C 
ATOM      4  C   LIG    1        2.099  -1.766  -0.395  0.00  0.00    +0.116 C 
ATOM      5  N   LIG    1        1.942  -0.654   0.565  0.00  0.00    -0.261 N 
ATOM      6  C   LIG    1        0.812   0.270   0.384  0.00  0.00    +0.167 C 
ATOM      7  C   LIG    1        3.005  -0.184   1.321  0.00  0.00    +0.404 C 
ATOM      8  O   LIG    1        2.979   0.871   1.945  0.00  0.00    -0.226 OA
ATOM      9  C   LIG    1       -0.345  -0.474  -0.171  0.00  0.00    +0.070 A 
ATOM     10  N   LIG    1       -1.617   0.030  -0.375  0.00  0.00    -0.200 N 
ATOM     11  C   LIG    1       -2.079   1.340  -0.127  0.00  0.00    +0.255 C 
ATOM     12  O   LIG    1       -1.277   2.185   0.270  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1       -2.426  -0.925  -0.904  0.00  0.00    -0.149 NA
ENDROOT
BRANCH  11  14
ATOM     14  C   LIG    1       -3.541   1.649  -0.387  0.00  0.00    +0.113 C 
ATOM     15  C   LIG    1       -4.550   0.835   0.404  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1       -5.776   0.479  -0.191  0.00  0.00    +0.031 A 
ATOM     17  C   LIG    1       -6.675  -0.314   0.534  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1       -6.413  -0.671   1.857  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -5.237  -0.251   2.469  0.00  0.00    +0.000 A 
ATOM     20  N   LIG    1       -6.069   0.788  -1.530  0.00  0.00    -0.344 N 
ATOM     21  H   LIG    1       -7.071   0.833  -1.697  0.00  0.00    +0.146 HD
ATOM     22  C   LIG    1       -5.332   1.906  -2.099  0.00  0.00    +0.102 C 
ATOM     23  C   LIG    1       -4.311   0.501   1.749  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1       -3.842   1.706  -1.889  0.00  0.00    +0.036 C 
ENDBRANCH  11  14
BRANCH   1  25
ATOM     25  N   LIG    1       -2.137  -3.175  -1.476  0.00  0.00    -0.341 N 
ATOM     26  H   LIG    1       -3.052  -3.148  -1.915  0.00  0.00    +0.144 HD
ATOM     27  H   LIG    1       -1.515  -3.869  -1.869  0.00  0.00    +0.144 HD
ENDBRANCH   1  25
BRANCH   7  28
ATOM     28  O   LIG    1        4.074  -1.022   1.295  0.00  0.00    -0.445 OA
BRANCH  28  29
ATOM     29  C   LIG    1        5.232  -0.588   2.015  0.00  0.00    +0.269 C 
BRANCH  29  30
ATOM     30  C   LIG    1        6.217   0.024   1.052  0.00  0.00    -0.010 A 
ATOM     31  C   LIG    1        7.108  -0.784   0.333  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1        8.005  -0.216  -0.573  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        8.012   1.163  -0.775  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        7.121   1.975  -0.076  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1        6.225   1.408   0.831  0.00  0.00    +0.007 A 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   7  28
TORSDOF 5