REMARK Name = BDB049350 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.945 -2.798 1.192 0.00 0.00 -0.011 A ATOM 2 C LIG 1 -2.553 -2.979 1.234 0.00 0.00 +0.038 A ATOM 3 C LIG 1 -1.720 -1.895 0.922 0.00 0.00 +0.090 A ATOM 4 N LIG 1 -0.353 -1.833 0.905 0.00 0.00 -0.232 NA ATOM 5 C LIG 1 -0.048 -0.604 0.538 0.00 0.00 +0.111 A ATOM 6 N LIG 1 -1.190 0.143 0.333 0.00 0.00 -0.326 N ATOM 7 C LIG 1 -2.278 -0.670 0.575 0.00 0.00 +0.069 A ATOM 8 C LIG 1 -3.662 -0.463 0.524 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -4.483 -1.553 0.840 0.00 0.00 +0.011 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 -6.307 -4.185 -0.635 0.00 0.00 +0.070 C ATOM 11 C LIG 1 -5.859 -4.512 0.738 0.00 0.00 +0.088 A ATOM 12 C LIG 1 -4.828 -3.902 1.502 0.00 0.00 +0.047 A ATOM 13 C LIG 1 -4.837 -4.601 2.690 0.00 0.00 +0.142 A ATOM 14 C LIG 1 -4.069 -4.531 3.949 0.00 0.00 +0.090 C ATOM 15 O LIG 1 -5.800 -5.560 2.637 0.00 0.00 -0.359 OA ATOM 16 N LIG 1 -6.446 -5.505 1.417 0.00 0.00 -0.083 NA ENDBRANCH 1 12 BRANCH 6 17 ATOM 17 C LIG 1 -1.270 1.556 0.002 0.00 0.00 +0.139 C BRANCH 17 18 ATOM 18 C LIG 1 -1.500 1.829 -1.494 0.00 0.00 +0.106 C BRANCH 18 19 ATOM 19 N LIG 1 -0.292 1.687 -2.327 0.00 0.00 -0.296 NA ATOM 20 C LIG 1 0.632 2.836 -2.168 0.00 0.00 +0.112 C ATOM 21 C LIG 1 1.851 2.707 -3.097 0.00 0.00 +0.175 C ATOM 22 O LIG 1 1.443 2.621 -4.469 0.00 0.00 -0.377 OA ATOM 23 C LIG 1 0.592 1.481 -4.653 0.00 0.00 +0.175 C ATOM 24 C LIG 1 -0.655 1.572 -3.758 0.00 0.00 +0.112 C ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 6 17 BRANCH 5 25 ATOM 25 C LIG 1 1.350 -0.096 0.382 0.00 0.00 +0.080 C BRANCH 25 26 ATOM 26 C LIG 1 1.876 0.478 1.698 0.00 0.00 +0.063 C BRANCH 26 27 ATOM 27 C LIG 1 3.299 0.973 1.599 0.00 0.00 +0.042 A ATOM 28 N LIG 1 3.686 1.568 0.442 0.00 0.00 -0.252 NA ATOM 29 C LIG 1 4.948 2.027 0.340 0.00 0.00 +0.071 A ATOM 30 C LIG 1 5.869 1.943 1.405 0.00 0.00 +0.000 A ATOM 31 C LIG 1 7.176 2.438 1.255 0.00 0.00 +0.010 A ATOM 32 C LIG 1 7.578 3.008 0.047 0.00 0.00 +0.001 A ATOM 33 C LIG 1 6.676 3.092 -1.007 0.00 0.00 +0.002 A ATOM 34 C LIG 1 5.439 1.354 2.600 0.00 0.00 +0.012 A ATOM 35 C LIG 1 5.375 2.604 -0.850 0.00 0.00 +0.028 A ATOM 36 C LIG 1 4.141 0.866 2.700 0.00 0.00 +0.024 A ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 5 25 TORSDOF 7