REMARK  Name = BDB012632
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.386  -0.740   1.024  0.00  0.00    -0.336 N 
ATOM      2  C   LIG    1        0.563  -1.043   0.091  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        1.702  -0.382   0.505  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        1.451   0.307   1.676  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1        0.191   0.068   1.961  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        2.988  -0.399  -0.180  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        3.066  -1.125  -1.325  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        4.253  -1.142  -1.962  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        5.379  -0.469  -1.518  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        5.293   0.276  -0.340  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        4.069   0.307   0.338  0.00  0.00    +0.040 A 
BRANCH  10  12
ATOM     12  C   LIG    1        6.428   1.009   0.192  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1        6.393   1.728   1.361  0.00  0.00    -0.130 NA
ATOM     14  N   LIG    1        7.588   2.272   1.555  0.00  0.00    -0.068 NA
ATOM     15  N   LIG    1        8.364   1.905   0.529  0.00  0.00    -0.264 N 
ATOM     16  H   LIG    1        9.324   2.230   0.505  0.00  0.00    +0.190 HD
ATOM     17  C   LIG    1        7.689   1.114  -0.353  0.00  0.00    +0.135 A 
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  18
ATOM     18  C   LIG    1       -1.757  -1.209   1.033  0.00  0.00    +0.127 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.690  -0.263   0.275  0.00  0.00    +0.060 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -5.064   0.217  -0.430  0.00  0.00    +0.133 A 
ATOM     21  C   LIG    1       -4.158  -0.639   0.227  0.00  0.00    -0.004 A 
ATOM     22  C   LIG    1       -4.667  -1.809   0.812  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -6.027  -2.120   0.727  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -6.900  -1.276   0.047  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -6.418  -0.111  -0.541  0.00  0.00    +0.046 A 
BRANCH  20  26
ATOM     26  O   LIG    1       -4.575   1.342  -1.041  0.00  0.00    -0.405 OA
BRANCH  26  28
ATOM     27  F   LIG    1       -6.340   2.757  -0.692  0.00  0.00    -0.133 F 
ATOM     28  C   LIG    1       -5.037   2.534  -0.414  0.00  0.00    +0.575 C 
ATOM     29  F   LIG    1       -4.863   2.487   0.925  0.00  0.00    -0.133 F 
ATOM     30  F   LIG    1       -4.323   3.576  -0.893  0.00  0.00    -0.133 F 
ENDBRANCH  26  28
ENDBRANCH  20  26
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 7