REMARK  Name = BDB020487
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.555   1.017   0.784  0.00  0.00    +0.094 A 
ATOM      2  C   LIG    1       -1.523   1.825   0.231  0.00  0.00    +0.064 A 
ATOM      3  C   LIG    1       -1.541   3.195  -0.310  0.00  0.00    +0.163 C 
ATOM      4  N   LIG    1       -2.493   3.262  -1.411  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1       -3.726   2.617  -1.355  0.00  0.00    +0.238 C 
ATOM      6  C   LIG    1       -3.930   1.560  -0.267  0.00  0.00    +0.171 C 
ATOM      7  C   LIG    1       -4.782   2.143   0.857  0.00  0.00    +0.041 C 
ATOM      8  O   LIG    1       -4.650   2.889  -2.125  0.00  0.00    -0.273 OA
ATOM      9  C   LIG    1       -2.321   4.352  -2.355  0.00  0.00    +0.132 C 
ATOM     10  N   LIG    1       -2.661   1.063   0.238  0.00  0.00    -0.318 N 
ATOM     11  C   LIG    1       -2.355  -0.170   0.755  0.00  0.00    +0.115 A 
ATOM     12  N   LIG    1       -1.079  -0.213   1.092  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   1  21
ATOM     13  C   LIG    1        3.995  -0.878  -0.660  0.00  0.00    +0.080 A 
ATOM     14  N   LIG    1        2.727  -1.274  -0.907  0.00  0.00    -0.254 NA
ATOM     15  C   LIG    1        1.722  -0.548  -0.354  0.00  0.00    +0.120 A 
ATOM     16  C   LIG    1        1.891   0.593   0.444  0.00  0.00    +0.009 A 
ATOM     17  C   LIG    1        3.227   0.982   0.681  0.00  0.00    -0.014 A 
ATOM     18  C   LIG    1        3.491   2.113   1.470  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        2.453   2.858   2.026  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        1.132   2.486   1.796  0.00  0.00    +0.011 A 
ATOM     21  C   LIG    1        0.836   1.365   1.004  0.00  0.00    +0.011 A 
ATOM     22  C   LIG    1        4.278   0.236   0.124  0.00  0.00    +0.037 A 
BRANCH  13  26
ATOM     23  C   LIG    1        8.431  -3.177  -2.465  0.00  0.00    +0.073 C 
ATOM     24  C   LIG    1        7.026  -2.807  -2.141  0.00  0.00    +0.076 A 
ATOM     25  S   LIG    1        6.702  -1.427  -1.175  0.00  0.00    -0.071 S 
ATOM     26  C   LIG    1        5.012  -1.726  -1.294  0.00  0.00    +0.057 A 
ATOM     27  C   LIG    1        4.829  -2.863  -2.065  0.00  0.00    +0.128 A 
ATOM     28  N   LIG    1        5.971  -3.475  -2.547  0.00  0.00    -0.252 NA
ENDBRANCH  13  26
ENDBRANCH   1  21
BRANCH  11  29
ATOM     29  C   LIG    1       -3.327  -1.310   0.892  0.00  0.00    +0.060 C 
ATOM     30  C   LIG    1       -3.103  -2.079   2.206  0.00  0.00    +0.039 C 
ATOM     31  C   LIG    1       -2.258  -3.320   1.960  0.00  0.00    +0.160 C 
ATOM     32  O   LIG    1       -2.907  -4.240   1.079  0.00  0.00    -0.380 OA
ATOM     33  C   LIG    1       -3.674  -3.645   0.033  0.00  0.00    +0.160 C 
ATOM     34  C   LIG    1       -3.217  -2.240  -0.327  0.00  0.00    +0.039 C 
ENDBRANCH  11  29
TORSDOF 3