REMARK Name = BDB024064 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.053 0.117 -2.120 0.00 0.00 +0.012 C ATOM 2 C LIG 1 -0.951 0.625 -1.390 0.00 0.00 +0.052 C ENDROOT BRANCH 1 9 ATOM 3 C LIG 1 3.950 1.611 0.637 0.00 0.00 +0.047 C ATOM 4 C LIG 1 3.339 0.566 -0.254 0.00 0.00 -0.008 A ATOM 5 C LIG 1 4.025 -0.589 -0.666 0.00 0.00 +0.128 A ATOM 6 C LIG 1 3.483 -1.397 -1.679 0.00 0.00 -0.008 A ATOM 7 C LIG 1 4.248 -2.506 -2.344 0.00 0.00 +0.047 C ATOM 8 C LIG 1 2.167 -1.158 -2.115 0.00 0.00 +0.015 A ATOM 9 C LIG 1 1.415 -0.093 -1.611 0.00 0.00 -0.024 A ATOM 10 C LIG 1 2.025 0.781 -0.707 0.00 0.00 +0.015 A BRANCH 5 11 ATOM 11 O LIG 1 5.292 -0.830 -0.206 0.00 0.00 -0.475 OA BRANCH 11 12 ATOM 12 C LIG 1 5.426 -1.676 0.974 0.00 0.00 +0.200 C ATOM 13 C LIG 1 4.929 -3.110 0.770 0.00 0.00 +0.067 C ATOM 14 C LIG 1 4.819 -1.067 2.240 0.00 0.00 +0.067 C BRANCH 12 15 ATOM 15 C LIG 1 6.950 -1.760 1.205 0.00 0.00 +0.348 C ATOM 16 O LIG 1 7.484 -2.387 2.110 0.00 0.00 -0.247 OA BRANCH 15 17 ATOM 17 O LIG 1 7.675 -1.060 0.294 0.00 0.00 -0.478 OA ATOM 18 H LIG 1 7.060 -0.632 -0.344 0.00 0.00 +0.295 HD ENDBRANCH 15 17 ENDBRANCH 12 15 ENDBRANCH 11 12 ENDBRANCH 5 11 ENDBRANCH 1 9 BRANCH 2 19 ATOM 19 C LIG 1 -2.303 0.771 -1.996 0.00 0.00 +0.189 C ATOM 20 O LIG 1 -2.539 0.493 -3.167 0.00 0.00 -0.287 OA BRANCH 19 21 ATOM 21 C LIG 1 -3.365 1.351 -1.150 0.00 0.00 +0.062 A ATOM 22 C LIG 1 -3.673 0.890 0.137 0.00 0.00 +0.133 A ATOM 23 N LIG 1 -4.572 1.561 0.900 0.00 0.00 -0.231 NA ATOM 24 C LIG 1 -5.226 2.627 0.402 0.00 0.00 +0.073 A ATOM 25 C LIG 1 -5.008 3.104 -0.902 0.00 0.00 +0.001 A ATOM 26 C LIG 1 -5.722 4.215 -1.385 0.00 0.00 +0.010 A ATOM 27 C LIG 1 -6.655 4.857 -0.573 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -6.873 4.392 0.719 0.00 0.00 +0.002 A ATOM 29 C LIG 1 -6.160 3.286 1.191 0.00 0.00 +0.028 A ATOM 30 C LIG 1 -4.056 2.445 -1.680 0.00 0.00 +0.025 A BRANCH 22 31 ATOM 31 N LIG 1 -3.087 -0.256 0.681 0.00 0.00 -0.315 N ATOM 32 C LIG 1 -3.300 -1.510 -0.067 0.00 0.00 +0.106 C ATOM 33 C LIG 1 -3.605 -2.563 1.000 0.00 0.00 +0.020 C ATOM 34 C LIG 1 -2.990 -1.982 2.261 0.00 0.00 +0.020 C ATOM 35 C LIG 1 -3.315 -0.501 2.111 0.00 0.00 +0.106 C ENDBRANCH 22 31 ENDBRANCH 19 21 ENDBRANCH 2 19 TORSDOF 8