REMARK  Name = BDB031176
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.292  -0.403  -0.424  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1        0.551  -0.688  -1.478  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1        0.763  -2.053  -1.943  0.00  0.00    +0.145 C 
ATOM      4  C   LIG    1        0.531  -1.907  -3.450  0.00  0.00    +0.063 C 
ATOM      5  C   LIG    1        1.044  -0.498  -3.788  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1        1.148   0.234  -2.441  0.00  0.00    +0.140 C 
ATOM      7  O   LIG    1       -0.745  -1.319   0.270  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        2.174  -2.488  -1.625  0.00  0.00    +0.131 A 
ATOM      9  N   LIG    1        2.618  -2.885  -0.381  0.00  0.00    -0.324 N 
ATOM     10  C   LIG    1        3.939  -3.236  -0.500  0.00  0.00    +0.107 A 
ATOM     11  C   LIG    1        4.261  -2.994  -1.810  0.00  0.00    +0.130 A 
ATOM     12  N   LIG    1        3.171  -2.531  -2.494  0.00  0.00    -0.239 NA
BRANCH   9  13
ATOM     13  C   LIG    1        1.856  -2.977   0.853  0.00  0.00    +0.219 C 
BRANCH  13  14
ATOM     14  C   LIG    1        1.930  -1.714   1.701  0.00  0.00    +0.237 C 
ATOM     15  N   LIG    1        1.040  -1.760   2.769  0.00  0.00    -0.284 N 
ATOM     16  H   LIG    1        0.313  -2.464   2.721  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1        2.704  -0.793   1.457  0.00  0.00    -0.274 OA
BRANCH  15  18
ATOM     18  C   LIG    1        0.895  -0.815   3.807  0.00  0.00    +0.033 A 
ATOM     19  C   LIG    1       -0.199  -0.977   4.668  0.00  0.00    +0.023 A 
ATOM     20  C   LIG    1       -0.426  -0.078   5.713  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        0.446   0.991   5.908  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        1.542   1.155   5.063  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        1.769   0.253   4.018  0.00  0.00    +0.023 A 
ENDBRANCH  15  18
ENDBRANCH  13  14
ENDBRANCH   9  13
ENDBRANCH   3   8
BRANCH   5  24
ATOM     24  O   LIG    1        0.113   0.160  -4.653  0.00  0.00    -0.390 OA
ATOM     25  H   LIG    1       -0.744   0.220  -4.188  0.00  0.00    +0.210 HD
ENDBRANCH   5  24
BRANCH   1  26
ATOM     26  C   LIG    1       -0.651   1.073  -0.157  0.00  0.00    +0.146 C 
BRANCH  26  30
ATOM     27  C   LIG    1       -2.681   2.570  -2.835  0.00  0.00    +0.255 A 
ATOM     28  N   LIG    1       -3.032   1.284  -2.905  0.00  0.00    -0.040 NA
ATOM     29  O   LIG    1       -2.332   0.662  -1.886  0.00  0.00    -0.355 OA
ATOM     30  C   LIG    1       -1.545   1.577  -1.249  0.00  0.00    +0.153 A 
ATOM     31  C   LIG    1       -1.746   2.814  -1.818  0.00  0.00    +0.115 A 
BRANCH  27  33
ATOM     32  C   LIG    1       -4.114   2.991  -4.626  0.00  0.00    +0.279 C 
ATOM     33  O   LIG    1       -3.181   3.499  -3.679  0.00  0.00    -0.478 OA
ENDBRANCH  27  33
ENDBRANCH  26  30
BRANCH  26  34
ATOM     34  C   LIG    1       -1.260   1.282   1.256  0.00  0.00    +0.002 C 
ATOM     35  C   LIG    1       -2.728   0.858   1.393  0.00  0.00    +0.008 C 
ATOM     36  C   LIG    1       -1.101   2.733   1.729  0.00  0.00    +0.008 C 
ENDBRANCH  26  34
ENDBRANCH   1  26
TORSDOF 9