REMARK  Name = BDB051165
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.140  -0.014   1.020  0.00  0.00    +0.080 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1        1.253   1.012   2.059  0.00  0.00    -0.325 NA
ATOM      3  H   LIG    1        1.708   0.623   2.884  0.00  0.00    +0.119 HD
ATOM      4  H   LIG    1        1.875   1.753   1.728  0.00  0.00    +0.119 HD
ENDBRANCH   1   2
BRANCH   1   5
ATOM      5  C   LIG    1        2.532  -0.346   0.386  0.00  0.00    +0.132 C 
BRANCH   5   6
ATOM      6  O   LIG    1        3.166   0.840  -0.109  0.00  0.00    -0.390 OA
ATOM      7  H   LIG    1        2.543   1.259  -0.731  0.00  0.00    +0.210 HD
ENDBRANCH   5   6
BRANCH   5   8
ATOM      8  C   LIG    1        3.484  -1.104   1.335  0.00  0.00    +0.045 C 
BRANCH   8   9
ATOM      9  C   LIG    1        4.336  -0.244   2.294  0.00  0.00    +0.074 C 
ATOM     10  C   LIG    1        4.417  -0.915   3.667  0.00  0.00    +0.017 C 
BRANCH   9  13
ATOM     11  N   LIG    1        5.779   0.744   0.601  0.00  0.00    -0.315 N 
ATOM     12  H   LIG    1        4.883   0.975   0.168  0.00  0.00    +0.149 HD
ATOM     13  C   LIG    1        5.747  -0.034   1.735  0.00  0.00    +0.216 C 
ATOM     14  O   LIG    1        6.754  -0.512   2.248  0.00  0.00    -0.276 OA
BRANCH  11  15
ATOM     15  C   LIG    1        6.995   0.981  -0.144  0.00  0.00    +0.104 C 
BRANCH  15  16
ATOM     16  C   LIG    1        7.290  -0.165  -1.109  0.00  0.00    +0.018 C 
BRANCH  16  18
ATOM     17  C   LIG    1        8.853  -1.034  -2.883  0.00  0.00    +0.004 C 
ATOM     18  C   LIG    1        8.556   0.104  -1.920  0.00  0.00    -0.002 C 
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH  11  15
ENDBRANCH   9  13
ENDBRANCH   8   9
ENDBRANCH   5   8
ENDBRANCH   1   5
BRANCH   1  19
ATOM     19  C   LIG    1        0.144   0.464  -0.066  0.00  0.00    +0.025 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.361   0.307   0.288  0.00  0.00    -0.005 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.840   1.164   1.481  0.00  0.00    +0.000 C 
ATOM     22  C   LIG    1       -1.700   2.670   1.305  0.00  0.00    +0.004 C 
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -2.199   0.555  -0.993  0.00  0.00    +0.038 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.661   0.201  -0.865  0.00  0.00    -0.047 A 
ATOM     25  C   LIG    1       -4.640   1.197  -0.873  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -5.993   0.864  -0.751  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -6.417  -0.472  -0.621  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -5.421  -1.461  -0.619  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -4.065  -1.130  -0.740  0.00  0.00    +0.004 A 
BRANCH  27  30
ATOM     30  C   LIG    1       -7.915  -0.798  -0.487  0.00  0.00    -0.013 C 
ATOM     31  C   LIG    1       -8.670  -0.292  -1.735  0.00  0.00    +0.015 C 
ATOM     32  C   LIG    1       -8.215  -2.308  -0.352  0.00  0.00    +0.015 C 
ATOM     33  C   LIG    1       -8.487  -0.105   0.769  0.00  0.00    +0.015 C 
ENDBRANCH  27  30
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 15