REMARK  Name = BDB025432
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.231  -2.560  -1.475  0.00  0.00    +0.142 A 
ATOM      2  C   LIG    1        0.857  -1.903  -0.893  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1        2.321  -2.135  -0.921  0.00  0.00    +0.057 C 
ATOM      4  C   LIG    1        2.979  -1.386   0.257  0.00  0.00    +0.114 C 
ATOM      5  N   LIG    1        2.495   0.040   0.300  0.00  0.00    -0.170 NA
ATOM      6  C   LIG    1        1.032   0.153   0.628  0.00  0.00    +0.165 C 
ATOM      7  C   LIG    1        0.304  -0.858  -0.186  0.00  0.00    +0.069 A 
ATOM      8  N   LIG    1       -1.064  -0.948  -0.341  0.00  0.00    -0.201 N 
ATOM      9  C   LIG    1       -2.063  -0.150   0.252  0.00  0.00    +0.255 C 
ATOM     10  O   LIG    1       -1.724   0.708   1.061  0.00  0.00    -0.270 OA
ATOM     11  N   LIG    1       -1.388  -1.989  -1.160  0.00  0.00    -0.149 NA
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1       -3.491  -0.489  -0.157  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1       -4.379   0.746  -0.141  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1       -5.312   0.948   0.890  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -6.138   2.078   0.840  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1       -6.000   3.027  -0.175  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -5.049   2.844  -1.173  0.00  0.00    +0.000 A 
ATOM     18  N   LIG    1       -5.545  -0.019   1.880  0.00  0.00    -0.344 N 
ATOM     19  H   LIG    1       -5.886   0.402   2.741  0.00  0.00    +0.146 HD
ATOM     20  C   LIG    1       -4.481  -0.987   2.094  0.00  0.00    +0.102 C 
ATOM     21  C   LIG    1       -4.245   1.706  -1.161  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -4.045  -1.584   0.764  0.00  0.00    +0.036 C 
ENDBRANCH   9  12
BRANCH   1  23
ATOM     23  N   LIG    1       -0.134  -3.636  -2.262  0.00  0.00    -0.341 N 
ATOM     24  H   LIG    1        0.722  -3.821  -2.769  0.00  0.00    +0.144 HD
ATOM     25  H   LIG    1       -0.966  -3.879  -2.791  0.00  0.00    +0.144 HD
ENDBRANCH   1  23
BRANCH   5  26
ATOM     26  S   LIG    1        3.436   1.087   1.269  0.00  0.00    +0.061 S 
ATOM     27  O   LIG    1        3.651   0.418   2.535  0.00  0.00    -0.153 OA
ATOM     28  O   LIG    1        2.862   2.412   1.202  0.00  0.00    -0.153 OA
BRANCH  26  29
ATOM     29  C   LIG    1        4.978   1.143   0.391  0.00  0.00    +0.105 A 
ATOM     30  C   LIG    1        6.151   0.687   0.998  0.00  0.00    +0.028 A 
ATOM     31  C   LIG    1        7.350   0.734   0.288  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        7.373   1.238  -1.015  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        6.199   1.699  -1.613  0.00  0.00    +0.002 A 
ATOM     34  C   LIG    1        4.995   1.655  -0.911  0.00  0.00    +0.028 A 
ENDBRANCH  26  29
ENDBRANCH   5  26
TORSDOF 4