REMARK Name = BDB061256 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.987 -2.405 -0.160 0.00 0.00 +0.051 A ATOM 2 C LIG 1 -2.075 -1.756 -0.780 0.00 0.00 +0.151 A ATOM 3 C LIG 1 -2.857 -2.406 -1.748 0.00 0.00 +0.106 A ATOM 4 C LIG 1 -3.973 -1.649 -2.367 0.00 0.00 +0.197 A ATOM 5 C LIG 1 -4.157 -0.260 -1.918 0.00 0.00 +0.098 A ATOM 6 C LIG 1 -3.343 0.246 -0.985 0.00 0.00 +0.139 A ATOM 7 O LIG 1 -4.734 -2.095 -3.215 0.00 0.00 -0.287 OA ATOM 8 C LIG 1 -2.563 -3.732 -2.088 0.00 0.00 +0.135 A ATOM 9 C LIG 1 -1.504 -4.396 -1.473 0.00 0.00 +0.092 A ATOM 10 O LIG 1 -2.324 -0.461 -0.381 0.00 0.00 -0.454 OA ATOM 11 C LIG 1 -0.730 -3.734 -0.525 0.00 0.00 +0.128 A ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 -3.488 1.629 -0.495 0.00 0.00 +0.018 A ATOM 13 C LIG 1 -3.444 1.893 0.883 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -3.566 3.199 1.367 0.00 0.00 +0.046 A ATOM 15 C LIG 1 -3.724 4.247 0.468 0.00 0.00 +0.117 A ATOM 16 C LIG 1 -3.761 4.011 -0.900 0.00 0.00 +0.046 A ATOM 17 C LIG 1 -3.642 2.705 -1.382 0.00 0.00 +0.015 A BRANCH 15 18 ATOM 18 O LIG 1 -3.845 5.536 0.893 0.00 0.00 -0.507 OA ATOM 19 H LIG 1 -3.839 5.548 1.864 0.00 0.00 +0.292 HD ENDBRANCH 15 18 ENDBRANCH 6 12 BRANCH 8 20 ATOM 20 O LIG 1 -3.301 -4.401 -3.021 0.00 0.00 -0.506 OA ATOM 21 H LIG 1 -2.973 -5.309 -3.124 0.00 0.00 +0.292 HD ENDBRANCH 8 20 BRANCH 11 22 ATOM 22 O LIG 1 0.301 -4.448 0.022 0.00 0.00 -0.506 OA ATOM 23 H LIG 1 0.876 -3.805 0.493 0.00 0.00 +0.292 HD ENDBRANCH 11 22 BRANCH 1 24 ATOM 24 C LIG 1 -0.193 -1.705 0.929 0.00 0.00 +0.127 C BRANCH 24 30 ATOM 25 O LIG 1 5.667 0.082 2.168 0.00 0.00 -0.269 OA ATOM 26 C LIG 1 4.810 0.475 1.375 0.00 0.00 +0.253 C ATOM 27 N LIG 1 3.598 -0.211 1.254 0.00 0.00 -0.295 N ATOM 28 C LIG 1 2.676 -0.080 0.120 0.00 0.00 +0.123 C ATOM 29 C LIG 1 1.964 -1.408 -0.208 0.00 0.00 +0.104 C ATOM 30 N LIG 1 1.248 -2.048 0.925 0.00 0.00 -0.295 NA ATOM 31 C LIG 1 1.852 -1.673 2.230 0.00 0.00 +0.104 C ATOM 32 C LIG 1 3.351 -1.339 2.152 0.00 0.00 +0.123 C BRANCH 26 33 ATOM 33 C LIG 1 5.001 1.665 0.556 0.00 0.00 +0.074 A ATOM 34 S LIG 1 6.508 1.902 -0.226 0.00 0.00 -0.092 S ATOM 35 C LIG 1 5.995 3.380 -0.915 0.00 0.00 +0.046 A ATOM 36 C LIG 1 4.711 3.707 -0.540 0.00 0.00 +0.008 A ATOM 37 C LIG 1 4.141 2.722 0.319 0.00 0.00 +0.021 A ENDBRANCH 26 33 ENDBRANCH 24 30 ENDBRANCH 1 24 TORSDOF 7