REMARK Name = BDB007170 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.414 0.466 -1.057 0.00 0.00 +0.163 A ATOM 2 C LIG 1 3.612 1.729 -1.625 0.00 0.00 +0.162 A ATOM 3 C LIG 1 2.489 2.506 -1.912 0.00 0.00 +0.053 A ATOM 4 C LIG 1 1.192 2.029 -1.638 0.00 0.00 -0.030 A ATOM 5 C LIG 1 -0.005 2.853 -1.997 0.00 0.00 +0.132 C ATOM 6 C LIG 1 -1.185 2.671 -1.067 0.00 0.00 +0.225 C ATOM 7 N LIG 1 -1.363 1.398 -0.503 0.00 0.00 -0.260 N ATOM 8 C LIG 1 -0.458 0.261 -0.882 0.00 0.00 +0.144 C ATOM 9 O LIG 1 -1.957 3.623 -0.919 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 0.990 0.756 -1.092 0.00 0.00 -0.015 A ATOM 11 C LIG 1 2.126 -0.024 -0.824 0.00 0.00 +0.055 A ENDROOT BRANCH 8 12 ATOM 12 C LIG 1 -0.494 -0.907 0.125 0.00 0.00 -0.001 A ATOM 13 C LIG 1 -0.712 -2.246 -0.291 0.00 0.00 +0.036 A ATOM 14 C LIG 1 -0.689 -3.263 0.681 0.00 0.00 +0.043 A ATOM 15 C LIG 1 -0.469 -2.968 2.027 0.00 0.00 +0.043 A ATOM 16 CL LIG 1 -0.447 -4.242 3.185 0.00 0.00 -0.083 Cl ATOM 17 C LIG 1 -0.260 -1.660 2.439 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -0.266 -0.636 1.495 0.00 0.00 +0.009 A BRANCH 13 19 ATOM 19 N LIG 1 -0.938 -2.536 -1.659 0.00 0.00 -0.336 N ATOM 20 C LIG 1 0.284 -3.027 -2.313 0.00 0.00 +0.129 C ATOM 21 C LIG 1 -2.099 -3.404 -1.898 0.00 0.00 +0.129 C ENDBRANCH 13 19 ENDBRANCH 8 12 BRANCH 7 22 ATOM 22 C LIG 1 -2.645 1.125 0.091 0.00 0.00 +0.037 A ATOM 23 C LIG 1 -3.173 1.986 1.053 0.00 0.00 +0.025 A ATOM 24 C LIG 1 -4.413 1.723 1.659 0.00 0.00 +0.025 A ATOM 25 C LIG 1 -5.192 0.604 1.324 0.00 0.00 +0.029 A ATOM 26 C LIG 1 -4.640 -0.247 0.354 0.00 0.00 +0.025 A ATOM 27 C LIG 1 -3.401 0.009 -0.258 0.00 0.00 +0.025 A BRANCH 25 28 ATOM 28 N LIG 1 -6.418 0.337 1.946 0.00 0.00 -0.336 N ATOM 29 C LIG 1 -7.093 1.421 2.657 0.00 0.00 +0.129 C ATOM 30 C LIG 1 -7.294 -0.685 1.377 0.00 0.00 +0.129 C ENDBRANCH 25 28 ENDBRANCH 7 22 BRANCH 2 31 ATOM 31 O LIG 1 4.908 2.098 -1.866 0.00 0.00 -0.491 OA ATOM 32 C LIG 1 5.126 3.349 -2.503 0.00 0.00 +0.277 C ENDBRANCH 2 31 BRANCH 1 33 ATOM 33 O LIG 1 4.452 -0.388 -0.778 0.00 0.00 -0.485 OA BRANCH 33 34 ATOM 34 C LIG 1 5.218 0.036 0.366 0.00 0.00 +0.170 C ATOM 35 C LIG 1 6.689 -0.156 0.007 0.00 0.00 +0.052 C BRANCH 34 37 ATOM 36 C LIG 1 5.496 -0.462 2.862 0.00 0.00 +0.007 C ATOM 37 C LIG 1 4.794 -0.829 1.565 0.00 0.00 +0.041 C ENDBRANCH 34 37 ENDBRANCH 33 34 ENDBRANCH 1 33 TORSDOF 8