REMARK  Name = BDB053470
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.136   0.821   0.642  0.00  0.00    -0.297 N 
ATOM      2  H   LIG    1       -1.373   1.768   0.923  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -2.232   0.081   0.240  0.00  0.00    +0.166 A 
ATOM      4  C   LIG    1       -3.535   0.741   0.265  0.00  0.00    +0.179 A 
ATOM      5  N   LIG    1       -4.665   0.064  -0.125  0.00  0.00    -0.295 N 
ATOM      6  C   LIG    1       -5.713   0.946   0.012  0.00  0.00    +0.076 A 
ATOM      7  C   LIG    1       -5.132   2.112   0.481  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1       -4.553  -1.248  -0.543  0.00  0.00    +0.113 A 
ATOM      9  C   LIG    1       -3.334  -1.811  -0.551  0.00  0.00    +0.131 A 
ATOM     10  N   LIG    1       -3.775   1.981   0.636  0.00  0.00    -0.232 NA
ATOM     11  N   LIG    1       -2.175  -1.166  -0.168  0.00  0.00    -0.235 NA
BRANCH   6  12
ATOM     12  C   LIG    1       -7.226   0.757  -0.271  0.00  0.00    +0.038 A 
ATOM     13  C   LIG    1       -7.875  -0.361  -0.733  0.00  0.00    +0.115 A 
ATOM     14  N   LIG    1       -9.199  -0.024  -0.816  0.00  0.00    -0.284 N 
ATOM     15  H   LIG    1       -9.977  -0.602  -1.118  0.00  0.00    +0.188 HD
ATOM     16  N   LIG    1       -9.454   1.238  -0.440  0.00  0.00    -0.182 NA
ATOM     17  C   LIG    1       -8.251   1.714  -0.108  0.00  0.00    +0.144 A 
ENDBRANCH   6  12
ENDBRANCH   1   3
BRANCH   1  21
ATOM     18  C   LIG    1        2.951  -0.093   1.155  0.00  0.00    +0.106 A 
ATOM     19  C   LIG    1        2.487   1.209   1.328  0.00  0.00    +0.030 A 
ATOM     20  C   LIG    1        1.125   1.477   1.157  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        0.209   0.462   0.821  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1        0.708  -0.835   0.653  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1        2.068  -1.119   0.823  0.00  0.00    +0.030 A 
BRANCH  18  25
ATOM     24  O   LIG    1        5.388   0.775   1.563  0.00  0.00    -0.153 OA
ATOM     25  S   LIG    1        4.675  -0.466   1.352  0.00  0.00    +0.061 S 
ATOM     26  O   LIG    1        4.769  -1.553   2.302  0.00  0.00    -0.153 OA
BRANCH  25  27
ATOM     27  N   LIG    1        5.107  -1.059  -0.183  0.00  0.00    -0.172 NA
ATOM     28  C   LIG    1        6.383  -1.838  -0.226  0.00  0.00    +0.137 C 
ATOM     29  C   LIG    1        7.596  -0.913  -0.344  0.00  0.00    +0.177 C 
ATOM     30  O   LIG    1        7.494  -0.092  -1.517  0.00  0.00    -0.377 OA
ATOM     31  C   LIG    1        6.328   0.740  -1.447  0.00  0.00    +0.177 C 
ATOM     32  C   LIG    1        5.046  -0.095  -1.328  0.00  0.00    +0.137 C 
ENDBRANCH  25  27
ENDBRANCH  18  25
ENDBRANCH   1  21
TORSDOF 5