REMARK  Name = BDB001398
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.509   2.735  -0.179  0.00  0.00    -0.262 N 
ATOM      2  C   LIG    1       -0.047   1.367   0.112  0.00  0.00    +0.192 C 
ATOM      3  C   LIG    1        0.425   1.518   1.552  0.00  0.00    +0.019 A 
ATOM      4  C   LIG    1        0.386   2.861   1.923  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        0.772   3.315   3.172  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1        1.209   2.366   4.095  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        1.231   1.003   3.756  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1        0.832   0.571   2.485  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1       -0.183   3.632   0.820  0.00  0.00    +0.250 C 
ATOM     10  O   LIG    1       -0.346   4.838   0.843  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2  11
ATOM     11  C   LIG    1       -1.191   0.365  -0.092  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -2.217   0.223   0.858  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1       -3.275  -0.676   0.663  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -3.365  -1.459  -0.496  0.00  0.00    -0.042 A 
ATOM     15  C   LIG    1       -2.355  -1.292  -1.459  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -1.298  -0.395  -1.266  0.00  0.00    +0.009 A 
BRANCH  14  17
ATOM     17  C   LIG    1       -4.513  -2.454  -0.742  0.00  0.00    -0.013 C 
ATOM     18  C   LIG    1       -3.937  -3.873  -0.942  0.00  0.00    +0.015 C 
ATOM     19  C   LIG    1       -5.529  -2.534   0.419  0.00  0.00    +0.015 C 
ATOM     20  C   LIG    1       -5.294  -2.040  -2.007  0.00  0.00    +0.015 C 
ENDBRANCH  14  17
ENDBRANCH   2  11
BRANCH   1  21
ATOM     21  C   LIG    1       -1.081   3.156  -1.450  0.00  0.00    +0.111 C 
BRANCH  21  23
ATOM     22  C   LIG    1        1.021   4.312  -2.320  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -0.081   3.300  -2.598  0.00  0.00    +0.016 C 
ENDBRANCH  21  23
ENDBRANCH   1  21
BRANCH   2  24
ATOM     24  O   LIG    1        1.066   1.163  -0.766  0.00  0.00    -0.347 OA
BRANCH  24  25
ATOM     25  C   LIG    1        1.859  -0.006  -0.585  0.00  0.00    +0.168 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.267   0.396  -0.146  0.00  0.00    +0.063 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.131  -0.803   0.145  0.00  0.00    -0.045 A 
ATOM     28  C   LIG    1        4.305  -1.249   1.462  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1        5.086  -2.374   1.729  0.00  0.00    +0.045 A 
ATOM     30  C   LIG    1        5.694  -3.055   0.682  0.00  0.00    +0.117 A 
ATOM     31  C   LIG    1        5.534  -2.629  -0.633  0.00  0.00    +0.045 A 
ATOM     32  C   LIG    1        4.752  -1.504  -0.900  0.00  0.00    +0.007 A 
BRANCH  30  33
ATOM     33  O   LIG    1        6.448  -4.148   0.988  0.00  0.00    -0.507 OA
ATOM     34  H   LIG    1        6.825  -4.503   0.167  0.00  0.00    +0.292 HD
ENDBRANCH  30  33
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   2  24
TORSDOF 9