REMARK Name = BDB009733 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.227 -0.873 -0.123 0.00 0.00 -0.289 N ATOM 2 C LIG 1 -0.887 0.093 0.076 0.00 0.00 +0.114 C ATOM 3 C LIG 1 -2.195 -0.623 0.559 0.00 0.00 +0.045 C ATOM 4 C LIG 1 -2.527 -1.927 -0.185 0.00 0.00 +0.026 C ATOM 5 C LIG 1 -1.477 -2.393 -1.204 0.00 0.00 +0.055 C ATOM 6 C LIG 1 -1.671 -1.662 -2.548 0.00 0.00 +0.021 C ATOM 7 C LIG 1 -0.060 -2.140 -0.670 0.00 0.00 +0.223 C ATOM 8 O LIG 1 0.810 -3.000 -0.810 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 9 ATOM 9 C LIG 1 -0.599 1.241 1.048 0.00 0.00 -0.026 A ATOM 10 C LIG 1 -0.343 1.008 2.413 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -0.135 2.072 3.294 0.00 0.00 +0.020 A ATOM 12 C LIG 1 -0.193 3.381 2.825 0.00 0.00 +0.041 A ATOM 13 CL LIG 1 0.065 4.691 3.909 0.00 0.00 -0.084 Cl ATOM 14 C LIG 1 -0.460 3.636 1.483 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -0.667 2.573 0.600 0.00 0.00 +0.007 A ENDBRANCH 2 9 BRANCH 3 16 ATOM 16 C LIG 1 -3.419 0.293 0.601 0.00 0.00 -0.041 A ATOM 17 C LIG 1 -4.053 0.549 1.829 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -5.160 1.397 1.892 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 -5.916 1.702 3.407 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 -5.655 1.998 0.738 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -5.040 1.749 -0.487 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -3.929 0.904 -0.556 0.00 0.00 +0.004 A ENDBRANCH 3 16 BRANCH 1 23 ATOM 23 C LIG 1 1.669 -0.463 -0.304 0.00 0.00 +0.094 C BRANCH 23 25 ATOM 24 C LIG 1 1.538 1.400 -2.130 0.00 0.00 +0.006 C ATOM 25 C LIG 1 1.952 -0.016 -1.762 0.00 0.00 +0.021 C ENDBRANCH 23 25 BRANCH 23 26 ATOM 26 C LIG 1 2.308 0.446 0.775 0.00 0.00 +0.130 C BRANCH 26 27 ATOM 27 N LIG 1 3.769 0.476 0.770 0.00 0.00 -0.300 N ATOM 28 C LIG 1 4.562 -0.543 1.278 0.00 0.00 +0.216 C ATOM 29 O LIG 1 4.178 -1.551 1.847 0.00 0.00 -0.276 OA ATOM 30 C LIG 1 5.998 -0.208 0.960 0.00 0.00 +0.097 C ATOM 31 C LIG 1 5.938 1.280 0.637 0.00 0.00 +0.028 C ATOM 32 C LIG 1 4.543 1.473 0.075 0.00 0.00 +0.108 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 1 23 BRANCH 5 33 ATOM 33 C LIG 1 -1.687 -3.924 -1.404 0.00 0.00 +0.136 C BRANCH 33 34 ATOM 34 C LIG 1 -0.807 -4.587 -2.439 0.00 0.00 +0.306 C ATOM 35 O LIG 1 -0.494 -4.152 -3.534 0.00 0.00 -0.251 OA BRANCH 34 36 ATOM 36 O LIG 1 -0.432 -5.827 -2.065 0.00 0.00 -0.481 OA ATOM 37 H LIG 1 0.169 -6.117 -2.782 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 5 33 TORSDOF 9