REMARK Name = BDB058520 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.265 -0.249 0.791 0.00 0.00 +0.086 A ATOM 2 C LIG 1 -0.133 -1.535 0.441 0.00 0.00 +0.047 A ATOM 3 S LIG 1 1.177 -2.623 0.711 0.00 0.00 -0.070 S ATOM 4 C LIG 1 2.134 -1.332 1.307 0.00 0.00 +0.093 A ATOM 5 N LIG 1 1.549 -0.152 1.315 0.00 0.00 -0.242 NA ENDROOT BRANCH 1 9 ATOM 6 C LIG 1 -2.118 3.330 0.527 0.00 0.00 -0.042 A ATOM 7 C LIG 1 -1.301 3.065 1.637 0.00 0.00 +0.005 A ATOM 8 C LIG 1 -0.530 1.897 1.710 0.00 0.00 +0.010 A ATOM 9 C LIG 1 -0.556 0.952 0.681 0.00 0.00 +0.001 A ATOM 10 C LIG 1 -1.348 1.212 -0.440 0.00 0.00 +0.010 A ATOM 11 C LIG 1 -2.120 2.378 -0.511 0.00 0.00 +0.005 A BRANCH 6 13 ATOM 12 C LIG 1 -2.864 5.545 1.630 0.00 0.00 +0.015 C ATOM 13 C LIG 1 -2.982 4.598 0.413 0.00 0.00 -0.013 C ATOM 14 C LIG 1 -4.470 4.200 0.287 0.00 0.00 +0.015 C ATOM 15 C LIG 1 -2.563 5.405 -0.837 0.00 0.00 +0.015 C ENDBRANCH 6 13 ENDBRANCH 1 9 BRANCH 2 16 ATOM 16 C LIG 1 -1.413 -2.067 -0.033 0.00 0.00 -0.009 A ATOM 17 C LIG 1 -2.578 -1.871 0.715 0.00 0.00 +0.009 A ATOM 18 C LIG 1 -3.810 -2.369 0.271 0.00 0.00 +0.005 A ATOM 19 C LIG 1 -3.920 -3.079 -0.934 0.00 0.00 -0.042 A ATOM 20 C LIG 1 -2.739 -3.265 -1.679 0.00 0.00 +0.005 A ATOM 21 C LIG 1 -1.507 -2.770 -1.238 0.00 0.00 +0.009 A BRANCH 19 22 ATOM 22 C LIG 1 -5.256 -3.643 -1.448 0.00 0.00 -0.013 C ATOM 23 C LIG 1 -5.601 -2.998 -2.808 0.00 0.00 +0.015 C ATOM 24 C LIG 1 -6.449 -3.382 -0.500 0.00 0.00 +0.015 C ATOM 25 C LIG 1 -5.142 -5.174 -1.625 0.00 0.00 +0.015 C ENDBRANCH 19 22 ENDBRANCH 2 16 BRANCH 4 26 ATOM 26 C LIG 1 3.535 -1.601 1.801 0.00 0.00 +0.144 C BRANCH 26 27 ATOM 27 N LIG 1 4.286 -0.372 2.126 0.00 0.00 -0.310 NA ATOM 28 H LIG 1 3.607 0.246 2.582 0.00 0.00 +0.122 HD BRANCH 27 29 ATOM 29 C LIG 1 4.770 0.321 0.925 0.00 0.00 +0.085 C BRANCH 29 30 ATOM 30 C LIG 1 6.301 0.235 0.801 0.00 0.00 +0.005 C ATOM 31 C LIG 1 6.786 1.117 -0.363 0.00 0.00 +0.020 C ATOM 32 C LIG 1 8.295 0.992 -0.567 0.00 0.00 +0.081 C ATOM 33 N LIG 1 8.699 -0.398 -0.786 0.00 0.00 -0.316 NA ATOM 34 H LIG 1 8.236 -0.749 -1.624 0.00 0.00 +0.122 HD ATOM 35 C LIG 1 8.314 -1.234 0.353 0.00 0.00 +0.081 C ATOM 36 C LIG 1 6.806 -1.203 0.600 0.00 0.00 +0.020 C ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 26 27 ENDBRANCH 4 26 TORSDOF 8