REMARK Name = BDB046698 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.644 -1.456 -0.212 0.00 0.00 +0.232 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 -1.970 -1.709 -0.680 0.00 0.00 -0.492 OA BRANCH 2 10 ATOM 3 C LIG 1 -8.913 -0.962 -1.094 0.00 0.00 +0.068 C ATOM 4 C LIG 1 -7.690 -0.077 -0.815 0.00 0.00 +0.203 C ATOM 5 O LIG 1 -6.564 -0.958 -0.947 0.00 0.00 -0.474 OA ATOM 6 C LIG 1 -5.389 -0.543 -0.383 0.00 0.00 +0.129 A ATOM 7 C LIG 1 -5.295 0.510 0.528 0.00 0.00 -0.005 A ATOM 8 C LIG 1 -4.037 0.859 1.033 0.00 0.00 +0.011 A ATOM 9 C LIG 1 -2.894 0.145 0.656 0.00 0.00 +0.046 A ATOM 10 C LIG 1 -2.995 -0.925 -0.231 0.00 0.00 +0.124 A ATOM 11 C LIG 1 -6.512 1.279 0.940 0.00 0.00 +0.043 C ATOM 12 C LIG 1 -4.249 -1.262 -0.746 0.00 0.00 +0.091 A ATOM 13 C LIG 1 -7.771 0.485 0.613 0.00 0.00 +0.064 C BRANCH 4 14 ATOM 14 C LIG 1 -7.665 1.052 -1.880 0.00 0.00 +0.349 C ATOM 15 O LIG 1 -6.788 1.209 -2.718 0.00 0.00 -0.246 OA BRANCH 14 16 ATOM 16 O LIG 1 -8.725 1.900 -1.829 0.00 0.00 -0.478 OA ATOM 17 H LIG 1 -9.405 1.693 -1.163 0.00 0.00 +0.295 HD ENDBRANCH 14 16 ENDBRANCH 4 14 ENDBRANCH 2 10 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 C LIG 1 0.036 -0.401 -1.084 0.00 0.00 +0.082 C BRANCH 18 19 ATOM 19 C LIG 1 1.416 -0.022 -0.561 0.00 0.00 +0.232 C BRANCH 19 20 ATOM 20 O LIG 1 2.229 -1.191 -0.507 0.00 0.00 -0.490 OA BRANCH 20 21 ATOM 21 C LIG 1 3.496 -1.070 0.001 0.00 0.00 +0.139 A ATOM 22 C LIG 1 4.223 -2.261 0.177 0.00 0.00 +0.086 A ATOM 23 CL LIG 1 3.533 -3.800 -0.213 0.00 0.00 -0.080 Cl ATOM 24 C LIG 1 5.525 -2.239 0.682 0.00 0.00 +0.070 A ATOM 25 C LIG 1 6.120 -1.022 0.998 0.00 0.00 +0.130 A ATOM 26 C LIG 1 5.405 0.168 0.848 0.00 0.00 +0.050 A ATOM 27 C LIG 1 4.101 0.144 0.343 0.00 0.00 +0.051 A BRANCH 25 28 ATOM 28 O LIG 1 7.392 -1.065 1.522 0.00 0.00 -0.456 OA BRANCH 28 29 ATOM 29 C LIG 1 8.308 -0.164 1.028 0.00 0.00 +0.128 A ATOM 30 C LIG 1 9.085 0.526 1.958 0.00 0.00 +0.046 A ATOM 31 C LIG 1 10.053 1.430 1.520 0.00 0.00 +0.004 A ATOM 32 C LIG 1 10.253 1.630 0.154 0.00 0.00 +0.000 A ATOM 33 C LIG 1 9.491 0.920 -0.776 0.00 0.00 +0.004 A ATOM 34 C LIG 1 8.522 0.016 -0.341 0.00 0.00 +0.046 A ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 10