REMARK  Name = BDB033951
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.683  -0.060  -0.803  0.00  0.00    +0.165 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1        0.138  -1.530  -2.728  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -0.106  -0.320  -2.138  0.00  0.00    -0.304 N 
ATOM      4  H   LIG    1       -0.247   0.403  -2.838  0.00  0.00    +0.149 HD
ATOM      5  O   LIG    1        0.290  -1.559  -3.948  0.00  0.00    -0.276 OA
BRANCH   2   7
ATOM      6  C   LIG    1        0.333  -4.040  -2.666  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1        0.275  -2.759  -1.847  0.00  0.00    +0.092 C 
ENDBRANCH   2   7
ENDBRANCH   1   3
BRANCH   1   8
ATOM      8  C   LIG    1        0.294  -0.434   0.333  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1        1.616  -0.163   0.027  0.00  0.00    -0.309 N 
ATOM     10  H   LIG    1        1.808   0.284  -0.864  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1       -0.060  -0.826   1.438  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1        2.693  -0.264   1.020  0.00  0.00    +0.091 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.038  -0.491   0.297  0.00  0.00    +0.058 C 
BRANCH  13  14
ATOM     14  C   LIG    1        5.040  -1.310   1.079  0.00  0.00    -0.046 A 
ATOM     15  C   LIG    1        6.206  -0.718   1.581  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        7.138  -1.476   2.294  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        6.913  -2.835   2.513  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        5.756  -3.437   2.018  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        4.824  -2.680   1.304  0.00  0.00    +0.004 A 
ENDBRANCH  13  14
ENDBRANCH  12  13
BRANCH  12  20
ATOM     20  C   LIG    1        2.683   1.006   1.916  0.00  0.00    +0.100 C 
BRANCH  20  21
ATOM     21  N   LIG    1        3.723   1.060   2.939  0.00  0.00    -0.328 NA
ATOM     22  H   LIG    1        3.724   0.191   3.474  0.00  0.00    +0.118 HD
ATOM     23  H   LIG    1        3.505   1.802   3.603  0.00  0.00    +0.118 HD
ENDBRANCH  20  21
ENDBRANCH  12  20
ENDBRANCH   9  12
ENDBRANCH   1   8
BRANCH   1  24
ATOM     24  C   LIG    1       -2.094  -0.640  -0.618  0.00  0.00    +0.094 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.089   0.464  -0.409  0.00  0.00    +0.081 A 
ATOM     26  S   LIG    1       -4.148   0.944  -1.673  0.00  0.00    -0.076 S 
ATOM     27  C   LIG    1       -4.833   2.145  -0.645  0.00  0.00    +0.015 A 
ATOM     28  C   LIG    1       -4.193   2.109   0.590  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1       -4.469   2.972   1.773  0.00  0.00    +0.066 C 
ATOM     30  N   LIG    1       -3.191   1.157   0.704  0.00  0.00    -0.249 NA
BRANCH  27  31
ATOM     31  C   LIG    1       -5.946   3.056  -1.108  0.00  0.00    +0.021 C 
ATOM     32  C   LIG    1       -5.486   3.992  -2.231  0.00  0.00    +0.013 C 
ATOM     33  C   LIG    1       -7.196   2.277  -1.522  0.00  0.00    +0.013 C 
ENDBRANCH  27  31
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 11