REMARK Name = BDB042789 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.592 0.221 0.607 0.00 0.00 +0.088 C ATOM 2 C LIG 1 -1.498 0.270 -0.656 0.00 0.00 +0.090 C ATOM 3 C LIG 1 -2.803 -0.507 -0.404 0.00 0.00 +0.055 C ATOM 4 N LIG 1 -3.871 -0.175 -1.037 0.00 0.00 -0.279 NA ATOM 5 C LIG 1 -5.143 -0.876 -0.879 0.00 0.00 +0.221 C ATOM 6 C LIG 1 -5.106 -2.120 -0.028 0.00 0.00 +0.185 C ATOM 7 C LIG 1 -3.861 -2.458 0.675 0.00 0.00 +0.033 A ATOM 8 C LIG 1 -3.806 -3.590 1.493 0.00 0.00 +0.050 A ATOM 9 C LIG 1 -2.614 -3.902 2.128 0.00 0.00 +0.126 A ATOM 10 F LIG 1 -2.542 -4.996 2.896 0.00 0.00 -0.205 F ATOM 11 C LIG 1 -1.488 -3.099 1.976 0.00 0.00 +0.062 A ATOM 12 C LIG 1 -1.545 -1.938 1.195 0.00 0.00 +0.040 A ATOM 13 O LIG 1 -6.091 -2.842 0.114 0.00 0.00 -0.290 OA ATOM 14 C LIG 1 -2.738 -1.653 0.515 0.00 0.00 +0.028 A ATOM 15 N LIG 1 -0.378 -1.182 1.013 0.00 0.00 -0.339 N ATOM 16 H LIG 1 0.269 -1.288 1.793 0.00 0.00 +0.146 HD ENDROOT BRANCH 2 17 ATOM 17 C LIG 1 -1.775 1.697 -1.137 0.00 0.00 -0.018 A ATOM 18 C LIG 1 -1.514 2.118 -2.454 0.00 0.00 +0.045 A ATOM 19 CL LIG 1 -0.862 1.063 -3.659 0.00 0.00 -0.083 Cl ATOM 20 C LIG 1 -1.778 3.435 -2.848 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -2.317 4.349 -1.945 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -2.603 3.947 -0.646 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -2.340 2.635 -0.246 0.00 0.00 +0.006 A ENDBRANCH 2 17 BRANCH 1 26 ATOM 24 N LIG 1 3.014 0.731 -0.232 0.00 0.00 -0.300 NA ATOM 25 C LIG 1 1.687 0.258 -0.641 0.00 0.00 +0.090 C ATOM 26 C LIG 1 0.777 0.914 0.396 0.00 0.00 +0.025 C ATOM 27 C LIG 1 1.648 1.016 1.658 0.00 0.00 +0.022 C ATOM 28 C LIG 1 3.040 0.569 1.223 0.00 0.00 +0.085 C BRANCH 24 29 ATOM 29 C LIG 1 4.092 0.007 -0.924 0.00 0.00 +0.112 C BRANCH 29 30 ATOM 30 C LIG 1 5.510 0.486 -0.551 0.00 0.00 +0.174 C BRANCH 30 32 ATOM 31 C LIG 1 6.481 -1.344 0.620 0.00 0.00 +0.194 C ATOM 32 O LIG 1 5.963 -0.024 0.707 0.00 0.00 -0.382 OA ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 24 29 ENDBRANCH 1 26 TORSDOF 5