REMARK  Name = BDB022127
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.709  -0.423  -0.984  0.00  0.00    +0.078 A 
ATOM      2  C   LIG    1        0.425  -1.188  -1.207  0.00  0.00    +0.063 A 
ATOM      3  N   LIG    1        1.482  -0.570  -0.551  0.00  0.00    -0.201 N 
ATOM      4  N   LIG    1        1.091   0.637  -0.036  0.00  0.00    -0.171 NA
ATOM      5  C   LIG    1       -0.218   0.688  -0.267  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        2.827  -1.058  -0.362  0.00  0.00    +0.252 A 
ATOM      7  N   LIG    1        3.711  -0.248   0.256  0.00  0.00    -0.210 NA
ATOM      8  C   LIG    1        4.966  -0.711   0.443  0.00  0.00    +0.086 A 
ATOM      9  C   LIG    1        5.361  -1.988   0.081  0.00  0.00    -0.006 A 
ATOM     10  C   LIG    1        6.721  -2.561   0.309  0.00  0.00    +0.047 C 
ATOM     11  C   LIG    1        4.386  -2.733  -0.551  0.00  0.00    +0.120 A 
ATOM     12  N   LIG    1        3.132  -2.303  -0.781  0.00  0.00    -0.219 NA
BRANCH   8  13
ATOM     13  C   LIG    1        5.830   0.271   1.105  0.00  0.00    +0.038 A 
ATOM     14  S   LIG    1        7.289   0.800   0.371  0.00  0.00    -0.095 S 
ATOM     15  C   LIG    1        7.633   1.868   1.662  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        6.647   1.853   2.621  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        5.600   0.945   2.292  0.00  0.00    +0.017 A 
ENDBRANCH   8  13
ENDBRANCH   3   6
BRANCH   1  20
ATOM     18  N   LIG    1       -2.880   0.382  -1.561  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -2.545   1.282  -1.248  0.00  0.00    +0.149 HD
ATOM     20  C   LIG    1       -2.077  -0.723  -1.377  0.00  0.00    +0.247 C 
ATOM     21  O   LIG    1       -2.492  -1.869  -1.519  0.00  0.00    -0.270 OA
BRANCH  18  22
ATOM     22  C   LIG    1       -4.324   0.254  -1.621  0.00  0.00    +0.120 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.937   0.272  -0.206  0.00  0.00    +0.103 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -4.476   1.430   0.601  0.00  0.00    -0.301 NA
BRANCH  24  26
ATOM     25  C   LIG    1       -4.599   3.920   0.877  0.00  0.00    +0.020 C 
ATOM     26  C   LIG    1       -5.147   2.674   0.188  0.00  0.00    +0.081 C 
ENDBRANCH  24  26
BRANCH  24  27
ATOM     27  C   LIG    1       -4.581   1.144   2.044  0.00  0.00    +0.081 C 
ATOM     28  C   LIG    1       -5.991   0.965   2.599  0.00  0.00    +0.020 C 
ENDBRANCH  24  27
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  18  22
ENDBRANCH   1  20
BRANCH   2  29
ATOM     29  C   LIG    1        0.473  -2.516  -2.024  0.00  0.00    +0.039 C 
ATOM     30  C   LIG    1        1.350  -2.591  -3.251  0.00  0.00    +0.010 C 
ATOM     31  C   LIG    1       -0.136  -2.562  -3.405  0.00  0.00    +0.010 C 
ENDBRANCH   2  29
TORSDOF 9