REMARK  Name = BDB001846
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.949  -0.081  -1.134  0.00  0.00    -0.034 A 
ATOM      2  C   LIG    1       -1.825   0.974  -0.850  0.00  0.00    +0.005 A 
ATOM      3  C   LIG    1       -2.928   0.776  -0.015  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1       -3.176  -0.481   0.549  0.00  0.00    -0.045 A 
ATOM      5  C   LIG    1       -2.305  -1.539   0.262  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -1.202  -1.340  -0.571  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        0.240   0.128  -2.043  0.00  0.00    +0.116 C 
BRANCH   7   8
ATOM      8  N   LIG    1        1.518  -0.208  -1.414  0.00  0.00    -0.306 NA
ATOM      9  H   LIG    1        2.252  -0.156  -2.122  0.00  0.00    +0.123 HD
BRANCH   8  10
ATOM     10  C   LIG    1        1.870   0.748  -0.360  0.00  0.00    +0.140 C 
BRANCH  10  13
ATOM     11  C   LIG    1        2.955  -1.092   2.229  0.00  0.00    +0.088 C 
ATOM     12  C   LIG    1        3.655  -0.336   1.177  0.00  0.00    +0.127 A 
ATOM     13  C   LIG    1        3.249   0.428   0.104  0.00  0.00    +0.096 A 
ATOM     14  N   LIG    1        4.359   0.892  -0.576  0.00  0.00    -0.212 NA
ATOM     15  C   LIG    1        5.382   0.406   0.104  0.00  0.00    +0.228 A 
ATOM     16  O   LIG    1        5.021  -0.351   1.190  0.00  0.00    -0.440 OA
BRANCH  15  17
ATOM     17  C   LIG    1        6.813   0.566  -0.143  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1        7.246   1.333  -1.235  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1        8.608   1.505  -1.496  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        9.556   0.910  -0.666  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        9.144   0.145   0.422  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        7.781  -0.026   0.683  0.00  0.00    +0.013 A 
ENDBRANCH  15  17
ENDBRANCH  10  13
ENDBRANCH   8  10
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  23
ATOM     23  C   LIG    1       -4.385  -0.703   1.429  0.00  0.00    +0.071 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.628  -1.148   0.639  0.00  0.00    +0.199 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -6.236  -0.064  -0.130  0.00  0.00    -0.339 N 
ATOM     26  C   LIG    1       -6.247   0.015  -1.500  0.00  0.00    +0.086 A 
ATOM     27  C   LIG    1       -6.895   1.176  -1.857  0.00  0.00    +0.019 A 
ATOM     28  C   LIG    1       -7.290   1.823  -0.663  0.00  0.00    +0.019 A 
ATOM     29  C   LIG    1       -6.869   1.039   0.388  0.00  0.00    +0.086 A 
ENDBRANCH  24  25
BRANCH  24  30
ATOM     30  C   LIG    1       -6.641  -1.764   1.581  0.00  0.00    +0.328 C 
ATOM     31  O   LIG    1       -6.823  -1.478   2.754  0.00  0.00    -0.249 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -7.391  -2.725   0.999  0.00  0.00    -0.479 OA
ATOM     33  H   LIG    1       -8.026  -2.997   1.695  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  24  30
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 10