REMARK Name = BDB035180 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.080 -0.111 0.829 0.00 0.00 +0.075 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.690 1.238 0.490 0.00 0.00 +0.019 A ATOM 3 C LIG 1 -2.104 1.392 0.379 0.00 0.00 +0.163 A ATOM 4 N LIG 1 -2.575 2.635 0.075 0.00 0.00 -0.201 N ATOM 5 N LIG 1 -3.917 2.657 -0.014 0.00 0.00 -0.143 NA ATOM 6 C LIG 1 -4.220 1.377 0.276 0.00 0.00 +0.189 A ATOM 7 C LIG 1 -1.764 3.734 -0.132 0.00 0.00 +0.225 A ATOM 8 N LIG 1 -0.471 3.619 -0.039 0.00 0.00 -0.243 NA ATOM 9 N LIG 1 -3.121 0.569 0.506 0.00 0.00 -0.206 NA ATOM 10 C LIG 1 0.032 2.366 0.274 0.00 0.00 +0.120 A BRANCH 6 11 ATOM 11 C LIG 1 -5.570 0.862 0.315 0.00 0.00 +0.104 A ATOM 12 C LIG 1 -6.413 0.908 -0.793 0.00 0.00 +0.062 A ATOM 13 N LIG 1 -7.680 0.418 -0.726 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 -8.079 -0.117 0.434 0.00 0.00 +0.225 A ATOM 15 N LIG 1 -7.345 -0.216 1.545 0.00 0.00 -0.201 NA ATOM 16 C LIG 1 -6.094 0.280 1.460 0.00 0.00 +0.229 A BRANCH 12 17 ATOM 17 C LIG 1 -5.980 1.495 -2.126 0.00 0.00 +0.039 C ATOM 18 C LIG 1 -4.967 0.767 -2.981 0.00 0.00 +0.010 C ATOM 19 C LIG 1 -6.397 0.833 -3.420 0.00 0.00 +0.010 C ENDBRANCH 12 17 BRANCH 16 20 ATOM 20 O LIG 1 -5.299 0.246 2.592 0.00 0.00 -0.479 OA ATOM 21 C LIG 1 -5.882 -0.458 3.683 0.00 0.00 +0.279 C ENDBRANCH 16 20 ENDBRANCH 6 11 ENDBRANCH 1 2 BRANCH 1 26 ATOM 22 C LIG 1 4.172 -0.568 0.072 0.00 0.00 +0.088 A ATOM 23 C LIG 1 3.695 -0.305 1.357 0.00 0.00 +0.137 A ATOM 24 F LIG 1 4.543 -0.209 2.392 0.00 0.00 -0.205 F ATOM 25 C LIG 1 2.329 -0.163 1.611 0.00 0.00 +0.043 A ATOM 26 C LIG 1 1.400 -0.280 0.569 0.00 0.00 -0.037 A ATOM 27 C LIG 1 1.871 -0.541 -0.725 0.00 0.00 +0.043 A ATOM 28 C LIG 1 3.240 -0.681 -0.960 0.00 0.00 +0.137 A ATOM 29 F LIG 1 3.644 -0.944 -2.212 0.00 0.00 -0.205 F BRANCH 22 31 ATOM 30 N LIG 1 6.268 -1.833 -0.538 0.00 0.00 -0.330 N ATOM 31 C LIG 1 5.602 -0.679 -0.183 0.00 0.00 +0.147 A ATOM 32 N LIG 1 6.458 0.323 -0.088 0.00 0.00 -0.223 NA ATOM 33 C LIG 1 7.712 -0.181 -0.403 0.00 0.00 +0.162 A ATOM 34 C LIG 1 7.595 -1.529 -0.689 0.00 0.00 +0.120 A BRANCH 33 35 ATOM 35 C LIG 1 8.944 0.676 -0.410 0.00 0.00 +0.436 C ATOM 36 F LIG 1 9.068 1.429 0.714 0.00 0.00 -0.164 F ATOM 37 F LIG 1 10.079 -0.074 -0.497 0.00 0.00 -0.164 F ATOM 38 F LIG 1 8.969 1.530 -1.467 0.00 0.00 -0.164 F ENDBRANCH 33 35 BRANCH 30 40 ATOM 39 C LIG 1 5.584 -3.910 0.607 0.00 0.00 +0.027 C ATOM 40 C LIG 1 5.707 -3.160 -0.709 0.00 0.00 +0.120 C ENDBRANCH 30 40 ENDBRANCH 22 31 ENDBRANCH 1 26 TORSDOF 8