REMARK Name = BDB049098 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.479 0.371 -0.088 0.00 0.00 +0.030 A ATOM 2 C LIG 1 0.589 0.970 0.813 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -0.752 1.221 0.482 0.00 0.00 +0.006 A ATOM 4 C LIG 1 -1.253 0.901 -0.783 0.00 0.00 -0.041 A ATOM 5 C LIG 1 -0.374 0.324 -1.702 0.00 0.00 +0.006 A ATOM 6 C LIG 1 0.962 0.076 -1.360 0.00 0.00 +0.023 A ENDROOT BRANCH 1 10 ATOM 7 N LIG 1 3.688 -1.687 2.328 0.00 0.00 -0.174 NA ATOM 8 C LIG 1 3.131 -2.211 1.050 0.00 0.00 +0.128 C ATOM 9 C LIG 1 3.333 -1.236 -0.126 0.00 0.00 +0.122 C ATOM 10 N LIG 1 2.820 0.114 0.204 0.00 0.00 -0.327 N ATOM 11 C LIG 1 3.448 0.658 1.425 0.00 0.00 +0.122 C ATOM 12 C LIG 1 3.286 -0.286 2.633 0.00 0.00 +0.128 C BRANCH 7 13 ATOM 13 S LIG 1 5.144 -2.289 2.919 0.00 0.00 +0.061 S ATOM 14 O LIG 1 5.336 -1.768 4.256 0.00 0.00 -0.153 OA ATOM 15 O LIG 1 5.176 -3.715 2.666 0.00 0.00 -0.153 OA BRANCH 13 20 ATOM 16 C LIG 1 9.417 0.229 -0.587 0.00 0.00 +0.044 C ATOM 17 C LIG 1 8.377 -0.404 0.291 0.00 0.00 -0.050 A ATOM 18 C LIG 1 7.805 -1.633 -0.064 0.00 0.00 +0.005 A ATOM 19 C LIG 1 6.817 -2.211 0.736 0.00 0.00 +0.029 A ATOM 20 C LIG 1 6.376 -1.540 1.880 0.00 0.00 +0.105 A ATOM 21 C LIG 1 6.952 -0.324 2.255 0.00 0.00 +0.029 A ATOM 22 C LIG 1 7.939 0.249 1.452 0.00 0.00 +0.005 A ENDBRANCH 13 20 ENDBRANCH 7 13 ENDBRANCH 1 10 BRANCH 4 23 ATOM 23 C LIG 1 -2.692 1.154 -1.179 0.00 0.00 +0.051 C ATOM 24 C LIG 1 -3.234 2.592 -0.964 0.00 0.00 +0.079 C ATOM 25 C LIG 1 -4.756 2.373 -0.730 0.00 0.00 +0.104 C ATOM 26 N LIG 1 -4.968 0.918 -0.716 0.00 0.00 -0.296 NA ATOM 27 C LIG 1 -3.683 0.319 -0.357 0.00 0.00 +0.094 C BRANCH 24 28 ATOM 28 N LIG 1 -2.930 3.649 -1.952 0.00 0.00 -0.304 NA ATOM 29 C LIG 1 -3.250 3.280 -3.332 0.00 0.00 +0.104 C ATOM 30 C LIG 1 -1.540 4.099 -1.869 0.00 0.00 +0.104 C ENDBRANCH 24 28 BRANCH 26 31 ATOM 31 C LIG 1 -6.093 0.518 0.130 0.00 0.00 +0.122 C BRANCH 31 32 ATOM 32 C LIG 1 -6.495 -0.929 -0.061 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -7.162 -1.283 -1.246 0.00 0.00 +0.128 A ATOM 34 F LIG 1 -7.454 -0.344 -2.159 0.00 0.00 -0.205 F ATOM 35 C LIG 1 -7.552 -2.593 -1.506 0.00 0.00 +0.039 A ATOM 36 C LIG 1 -7.283 -3.587 -0.574 0.00 0.00 +0.003 A ATOM 37 C LIG 1 -6.631 -3.262 0.616 0.00 0.00 +0.004 A ATOM 38 C LIG 1 -6.233 -1.940 0.890 0.00 0.00 -0.043 A ATOM 39 C LIG 1 -5.549 -1.651 2.199 0.00 0.00 +0.044 C ENDBRANCH 31 32 ENDBRANCH 26 31 ENDBRANCH 4 23 TORSDOF 7