REMARK  Name = BDB029441
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.942  -1.523   1.277  0.00  0.00    +0.119 A 
ATOM      2  N   LIG    1       -1.562  -2.644   0.639  0.00  0.00    -0.240 NA
ATOM      3  C   LIG    1       -2.432  -3.207  -0.226  0.00  0.00    +0.113 A 
ATOM      4  C   LIG    1       -3.688  -2.697  -0.500  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -4.088  -1.525   0.143  0.00  0.00    -0.013 A 
ATOM      6  C   LIG    1       -3.186  -0.938   1.041  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -5.405  -0.923  -0.117  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1       -5.512   0.424  -0.517  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1       -6.768   0.954  -0.753  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1       -7.163   2.334  -1.186  0.00  0.00    +0.133 C 
ATOM     11  C   LIG    1       -8.691   2.226  -1.251  0.00  0.00    +0.222 C 
ATOM     12  N   LIG    1       -9.034   0.928  -0.890  0.00  0.00    -0.285 N 
ATOM     13  H   LIG    1       -9.989   0.606  -0.856  0.00  0.00    +0.155 HD
ATOM     14  O   LIG    1       -9.472   3.110  -1.560  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1       -7.910   0.175  -0.597  0.00  0.00    +0.037 A 
ATOM     16  C   LIG    1       -7.857  -1.143  -0.207  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1       -6.591  -1.689   0.033  0.00  0.00    +0.010 A 
ENDBRANCH   5   7
BRANCH   1  18
ATOM     18  N   LIG    1       -1.071  -0.877   2.172  0.00  0.00    -0.327 N 
ATOM     19  H   LIG    1       -1.574  -0.713   3.040  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1        0.203  -1.558   2.423  0.00  0.00    +0.131 C 
BRANCH  20  21
ATOM     21  C   LIG    1        1.207  -1.372   1.275  0.00  0.00    +0.178 C 
BRANCH  21  22
ATOM     22  O   LIG    1        2.540  -1.689   1.700  0.00  0.00    -0.376 OA
BRANCH  22  23
ATOM     23  C   LIG    1        3.239  -0.575   2.257  0.00  0.00    +0.188 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.943   0.236   1.170  0.00  0.00    +0.188 C 
BRANCH  24  25
ATOM     25  O   LIG    1        4.654   1.316   1.777  0.00  0.00    -0.375 OA
BRANCH  25  26
ATOM     26  C   LIG    1        5.360   2.118   0.830  0.00  0.00    +0.188 C 
BRANCH  26  27
ATOM     27  C   LIG    1        6.726   1.521   0.482  0.00  0.00    +0.188 C 
BRANCH  27  28
ATOM     28  O   LIG    1        7.439   2.352  -0.436  0.00  0.00    -0.376 OA
BRANCH  28  29
ATOM     29  C   LIG    1        7.120   2.104  -1.806  0.00  0.00    +0.186 C 
BRANCH  29  30
ATOM     30  C   LIG    1        8.012   1.004  -2.382  0.00  0.00    +0.209 C 
BRANCH  30  33
ATOM     31  N   LIG    1        9.064  -0.757  -4.951  0.00  0.00    +0.068 NA
ATOM     32  N   LIG    1        8.397  -0.016  -4.399  0.00  0.00    -0.167 NA
ATOM     33  N   LIG    1        7.670   0.791  -3.792  0.00  0.00    -0.108 NA
ENDBRANCH  30  33
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 14