REMARK  Name = BDB022146
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.825   1.333  -0.632  0.00  0.00    +0.066 C 
ATOM      2  C   LIG    1        1.388  -0.037  -0.780  0.00  0.00    +0.057 A 
ATOM      3  N   LIG    1        2.761  -0.308  -0.723  0.00  0.00    -0.202 N 
ATOM      4  N   LIG    1        3.018  -1.607  -1.059  0.00  0.00    -0.171 NA
ATOM      5  C   LIG    1        1.822  -2.155  -1.240  0.00  0.00    +0.148 A 
ATOM      6  C   LIG    1        0.760  -1.254  -1.034  0.00  0.00    +0.077 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        3.845   0.582  -0.361  0.00  0.00    +0.252 A 
ATOM      8  N   LIG    1        5.104   0.099  -0.424  0.00  0.00    -0.210 NA
ATOM      9  C   LIG    1        6.118   0.917  -0.074  0.00  0.00    +0.083 A 
ATOM     10  C   LIG    1        5.898   2.213   0.341  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1        4.587   2.622   0.380  0.00  0.00    +0.117 A 
ATOM     12  N   LIG    1        3.550   1.837   0.041  0.00  0.00    -0.219 NA
BRANCH   9  13
ATOM     13  C   LIG    1        7.449   0.290  -0.183  0.00  0.00    +0.038 A 
ATOM     14  S   LIG    1        8.895   1.137   0.208  0.00  0.00    -0.095 S 
ATOM     15  C   LIG    1        9.882  -0.206  -0.165  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        9.143  -1.288  -0.581  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        7.747  -1.002  -0.591  0.00  0.00    +0.017 A 
ENDBRANCH   9  13
ENDBRANCH   3   7
BRANCH   6  18
ATOM     18  C   LIG    1       -0.651  -1.590  -1.134  0.00  0.00    +0.247 C 
ATOM     19  N   LIG    1       -1.495  -0.808  -0.373  0.00  0.00    -0.311 N 
ATOM     20  H   LIG    1       -1.058  -0.270   0.362  0.00  0.00    +0.149 HD
ATOM     21  O   LIG    1       -1.042  -2.544  -1.797  0.00  0.00    -0.270 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -2.893  -1.163  -0.225  0.00  0.00    +0.112 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.792  -0.032   0.339  0.00  0.00    -0.007 C 
ATOM     24  C   LIG    1       -3.709   1.206  -0.573  0.00  0.00    +0.014 C 
ATOM     25  C   LIG    1       -3.333   0.358   1.760  0.00  0.00    +0.014 C 
BRANCH  23  26
ATOM     26  C   LIG    1       -5.248  -0.596   0.388  0.00  0.00    +0.091 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -6.235   0.362   0.919  0.00  0.00    -0.308 NA
ATOM     28  C   LIG    1       -7.118   0.863  -0.138  0.00  0.00    +0.104 C 
ATOM     29  C   LIG    1       -7.039  -0.239   1.984  0.00  0.00    +0.104 C 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH   6  18
TORSDOF 7