REMARK  Name = BDB035122
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.044  -2.154   0.313  0.00  0.00    -0.296 NA
ATOM      2  C   LIG    1        0.426  -0.723   0.283  0.00  0.00    +0.100 C 
ATOM      3  C   LIG    1        1.861  -0.480   0.795  0.00  0.00    +0.102 C 
ATOM      4  N   LIG    1        2.883  -1.098  -0.075  0.00  0.00    -0.278 NA
ATOM      5  C   LIG    1        2.383  -2.356  -0.671  0.00  0.00    +0.102 C 
ATOM      6  C   LIG    1        1.223  -3.020   0.103  0.00  0.00    +0.100 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        4.172  -1.287   0.619  0.00  0.00    +0.192 C 
ATOM      8  N   LIG    1        5.210  -1.711  -0.361  0.00  0.00    -0.272 NA
ATOM      9  C   LIG    1        5.657  -0.708  -1.061  0.00  0.00    +0.121 C 
ATOM     10  C   LIG    1        5.213   0.746  -0.908  0.00  0.00    +0.200 C 
ATOM     11  N   LIG    1        5.014   1.093   0.521  0.00  0.00    -0.308 N 
ATOM     12  C   LIG    1        5.916   2.089   0.873  0.00  0.00    +0.090 C 
ATOM     13  C   LIG    1        6.664   2.441  -0.183  0.00  0.00    +0.016 C 
ATOM     14  C   LIG    1        7.801   3.395  -0.221  0.00  0.00    +0.061 C 
ATOM     15  N   LIG    1        6.272   1.698  -1.300  0.00  0.00    -0.324 N 
ATOM     16  H   LIG    1        7.050   1.325  -1.830  0.00  0.00    +0.148 HD
ATOM     17  C   LIG    1        4.716  -0.038   1.412  0.00  0.00    +0.149 C 
ENDBRANCH   4   7
BRANCH   1  18
ATOM     18  C   LIG    1       -1.023  -2.448  -0.654  0.00  0.00    +0.121 C 
BRANCH  18  28
ATOM     19  C   LIG    1       -6.803   0.528  -0.460  0.00  0.00    +0.081 C 
ATOM     20  C   LIG    1       -5.967   1.204  -1.546  0.00  0.00    +0.221 C 
ATOM     21  O   LIG    1       -6.398   2.076  -2.296  0.00  0.00    -0.275 OA
ATOM     22  N   LIG    1       -4.704   0.697  -1.733  0.00  0.00    -0.284 N 
ATOM     23  H   LIG    1       -4.202   1.048  -2.539  0.00  0.00    +0.155 HD
ATOM     24  C   LIG    1       -4.107  -0.233  -0.877  0.00  0.00    +0.055 A 
ATOM     25  C   LIG    1       -4.707  -0.561   0.339  0.00  0.00    +0.063 A 
ATOM     26  N   LIG    1       -4.174  -1.448   1.210  0.00  0.00    -0.258 NA
ATOM     27  C   LIG    1       -3.002  -2.024   0.852  0.00  0.00    +0.116 A 
ATOM     28  C   LIG    1       -2.323  -1.754  -0.335  0.00  0.00    -0.014 A 
ATOM     29  C   LIG    1       -2.896  -0.828  -1.213  0.00  0.00    +0.031 A 
ATOM     30  C   LIG    1       -5.943   0.187   0.757  0.00  0.00    +0.070 C 
BRANCH  19  32
ATOM     31  C   LIG    1       -7.819   2.640   0.623  0.00  0.00    +0.004 C 
ATOM     32  C   LIG    1       -8.069   1.325  -0.105  0.00  0.00    +0.010 C 
ENDBRANCH  19  32
ENDBRANCH  18  28
ENDBRANCH   1  18
TORSDOF 4