REMARK Name = BDB009767 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.849 2.605 1.282 0.00 0.00 +0.021 C ATOM 2 C LIG 1 -0.480 2.312 -0.189 0.00 0.00 +0.055 C ATOM 3 C LIG 1 0.875 1.584 -0.227 0.00 0.00 +0.223 C ATOM 4 O LIG 1 1.907 2.210 -0.458 0.00 0.00 -0.275 OA ATOM 5 N LIG 1 0.875 0.213 0.059 0.00 0.00 -0.285 N ATOM 6 C LIG 1 -0.412 -0.452 0.382 0.00 0.00 +0.114 C ATOM 7 C LIG 1 -1.482 -0.073 -0.678 0.00 0.00 +0.045 C ATOM 8 C LIG 1 -1.536 1.452 -0.928 0.00 0.00 +0.026 C ENDROOT BRANCH 6 9 ATOM 9 C LIG 1 -0.320 -1.941 0.721 0.00 0.00 -0.026 A ATOM 10 C LIG 1 -0.505 -2.957 -0.232 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -0.404 -4.304 0.129 0.00 0.00 +0.020 A ATOM 12 C LIG 1 -0.113 -4.652 1.445 0.00 0.00 +0.041 A ATOM 13 CL LIG 1 0.011 -6.310 1.884 0.00 0.00 -0.084 Cl ATOM 14 C LIG 1 0.080 -3.664 2.405 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -0.021 -2.318 2.046 0.00 0.00 +0.007 A ENDBRANCH 6 9 BRANCH 7 16 ATOM 16 C LIG 1 -2.886 -0.596 -0.390 0.00 0.00 -0.041 A ATOM 17 C LIG 1 -3.506 -0.409 0.856 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -4.793 -0.900 1.086 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 -5.529 -0.671 2.624 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 -5.484 -1.572 0.082 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -4.888 -1.749 -1.165 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -3.600 -1.261 -1.400 0.00 0.00 +0.004 A ENDBRANCH 7 16 BRANCH 5 23 ATOM 23 C LIG 1 2.108 -0.581 -0.237 0.00 0.00 +0.131 C BRANCH 23 24 ATOM 24 C LIG 1 3.418 -0.078 0.387 0.00 0.00 +0.062 A ATOM 25 N LIG 1 4.577 -0.411 -0.242 0.00 0.00 -0.258 NA ATOM 26 C LIG 1 5.738 -0.026 0.331 0.00 0.00 +0.111 A ATOM 27 C LIG 1 5.819 0.639 1.540 0.00 0.00 +0.020 A ATOM 28 C LIG 1 4.636 0.929 2.205 0.00 0.00 +0.003 A ATOM 29 C LIG 1 3.422 0.558 1.631 0.00 0.00 +0.025 A ENDBRANCH 23 24 BRANCH 23 30 ATOM 30 C LIG 1 2.225 -1.012 -1.716 0.00 0.00 +0.100 C BRANCH 30 31 ATOM 31 C LIG 1 2.336 0.082 -2.755 0.00 0.00 +0.343 C ATOM 32 F LIG 1 1.158 0.753 -2.852 0.00 0.00 -0.209 F ATOM 33 F LIG 1 3.306 0.975 -2.492 0.00 0.00 -0.209 F ENDBRANCH 30 31 ENDBRANCH 23 30 ENDBRANCH 5 23 BRANCH 2 34 ATOM 34 C LIG 1 -0.304 3.662 -0.949 0.00 0.00 +0.136 C BRANCH 34 35 ATOM 35 C LIG 1 -1.553 4.495 -1.068 0.00 0.00 +0.306 C ATOM 36 O LIG 1 -2.571 4.410 -0.404 0.00 0.00 -0.251 OA BRANCH 35 37 ATOM 37 O LIG 1 -1.441 5.441 -2.020 0.00 0.00 -0.481 OA ATOM 38 H LIG 1 -2.292 5.926 -1.984 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 9