REMARK  Name = BDB031155
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.585  -0.686   0.328  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -1.680  -1.345  -0.483  0.00  0.00    -0.287 N 
ATOM      3  C   LIG    1       -0.735  -2.321   0.065  0.00  0.00    +0.145 C 
ATOM      4  C   LIG    1       -0.112  -2.990  -1.169  0.00  0.00    +0.063 C 
ATOM      5  C   LIG    1       -1.247  -2.962  -2.175  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -1.923  -1.615  -1.899  0.00  0.00    +0.140 C 
ATOM      7  O   LIG    1       -2.653  -0.917   1.543  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        0.302  -1.652   0.919  0.00  0.00    +0.129 A 
ATOM      9  N   LIG    1       -0.006  -1.146   2.158  0.00  0.00    -0.346 N 
ATOM     10  H   LIG    1       -0.944  -1.128   2.550  0.00  0.00    +0.167 HD
ATOM     11  C   LIG    1        1.123  -0.591   2.682  0.00  0.00    +0.117 A 
ATOM     12  C   LIG    1        2.120  -0.794   1.744  0.00  0.00    +0.143 A 
ATOM     13  N   LIG    1        1.580  -1.456   0.652  0.00  0.00    -0.226 NA
BRANCH  12  14
ATOM     14  C   LIG    1        3.511  -0.321   1.886  0.00  0.00    +0.266 C 
ATOM     15  N   LIG    1        4.484  -0.735   0.966  0.00  0.00    -0.295 N 
ATOM     16  C   LIG    1        4.220  -1.636  -0.146  0.00  0.00    +0.132 C 
ATOM     17  O   LIG    1        3.802   0.446   2.809  0.00  0.00    -0.268 OA
BRANCH  15  18
ATOM     18  C   LIG    1        5.771  -0.050   0.973  0.00  0.00    +0.144 C 
BRANCH  18  19
ATOM     19  C   LIG    1        5.850   1.041  -0.061  0.00  0.00    -0.012 A 
ATOM     20  C   LIG    1        6.583   0.873  -1.231  0.00  0.00    +0.115 A 
ATOM     21  N   LIG    1        6.688   1.806  -2.205  0.00  0.00    -0.263 NA
ATOM     22  C   LIG    1        6.027   2.966  -2.004  0.00  0.00    +0.111 A 
ATOM     23  C   LIG    1        5.269   3.236  -0.878  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        5.180   2.257   0.107  0.00  0.00    +0.008 A 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH  12  14
ENDBRANCH   3   8
BRANCH   5  25
ATOM     25  O   LIG    1       -2.149  -4.033  -1.905  0.00  0.00    -0.390 OA
ATOM     26  H   LIG    1       -1.711  -4.861  -2.167  0.00  0.00    +0.210 HD
ENDBRANCH   5  25
BRANCH   1  27
ATOM     27  C   LIG    1       -3.444   0.443  -0.305  0.00  0.00    +0.164 C 
BRANCH  27  30
ATOM     28  C   LIG    1       -6.963  -0.524   0.723  0.00  0.00    +0.109 C 
ATOM     29  C   LIG    1       -5.777  -0.350  -0.187  0.00  0.00    +0.211 C 
ATOM     30  N   LIG    1       -4.745   0.372   0.368  0.00  0.00    -0.304 N 
ATOM     31  H   LIG    1       -4.705   0.387   1.381  0.00  0.00    +0.149 HD
ATOM     32  O   LIG    1       -5.747  -0.819  -1.320  0.00  0.00    -0.276 OA
ENDBRANCH  27  30
BRANCH  27  33
ATOM     33  C   LIG    1       -2.789   1.856  -0.164  0.00  0.00    -0.011 C 
ATOM     34  C   LIG    1       -1.448   1.911  -0.923  0.00  0.00    +0.013 C 
ATOM     35  C   LIG    1       -2.532   2.252   1.303  0.00  0.00    +0.013 C 
ATOM     36  C   LIG    1       -3.725   2.912  -0.793  0.00  0.00    +0.013 C 
ENDBRANCH  27  33
ENDBRANCH   1  27
TORSDOF 8