REMARK Name = BDB059849 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.774 0.233 -0.280 0.00 0.00 -0.018 A ATOM 2 C LIG 1 0.925 0.683 0.771 0.00 0.00 -0.011 A ATOM 3 C LIG 1 -0.486 0.562 0.625 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.319 1.082 1.643 0.00 0.00 +0.010 A ATOM 5 C LIG 1 -0.801 1.662 2.798 0.00 0.00 +0.001 A ATOM 6 C LIG 1 0.569 1.737 2.967 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -1.015 -0.054 -0.538 0.00 0.00 +0.060 A ATOM 8 C LIG 1 -0.161 -0.498 -1.551 0.00 0.00 +0.026 A ATOM 9 C LIG 1 1.417 1.255 1.969 0.00 0.00 +0.009 A ATOM 10 C LIG 1 1.213 -0.347 -1.429 0.00 0.00 +0.008 A ENDROOT BRANCH 1 11 ATOM 11 C LIG 1 3.281 0.354 -0.241 0.00 0.00 +0.207 C BRANCH 11 12 ATOM 12 S LIG 1 3.993 -1.184 0.343 0.00 0.00 +0.001 S ATOM 13 O LIG 1 3.609 -1.413 1.724 0.00 0.00 -0.169 OA ATOM 14 O LIG 1 3.810 -2.211 -0.669 0.00 0.00 -0.169 OA BRANCH 12 18 ATOM 15 C LIG 1 8.441 -0.117 0.321 0.00 0.00 +0.120 A ATOM 16 C LIG 1 7.733 -0.166 1.526 0.00 0.00 +0.047 A ATOM 17 C LIG 1 6.379 -0.505 1.549 0.00 0.00 +0.030 A ATOM 18 C LIG 1 5.732 -0.793 0.350 0.00 0.00 +0.089 A ATOM 19 C LIG 1 6.433 -0.782 -0.859 0.00 0.00 +0.030 A ATOM 20 C LIG 1 7.788 -0.436 -0.871 0.00 0.00 +0.047 A BRANCH 15 22 ATOM 21 C LIG 1 10.469 0.477 -0.770 0.00 0.00 +0.277 C ATOM 22 O LIG 1 9.755 0.246 0.439 0.00 0.00 -0.495 OA ENDBRANCH 15 22 ENDBRANCH 12 18 ENDBRANCH 11 12 ENDBRANCH 1 11 BRANCH 7 23 ATOM 23 N LIG 1 -2.440 -0.312 -0.646 0.00 0.00 -0.189 N BRANCH 23 24 ATOM 24 S LIG 1 -3.192 0.359 -2.020 0.00 0.00 +0.075 S ATOM 25 O LIG 1 -2.586 1.635 -2.336 0.00 0.00 -0.150 OA ATOM 26 O LIG 1 -3.291 -0.683 -3.021 0.00 0.00 -0.150 OA BRANCH 24 27 ATOM 27 C LIG 1 -4.832 0.711 -1.435 0.00 0.00 +0.109 A ATOM 28 C LIG 1 -5.925 -0.010 -1.921 0.00 0.00 +0.032 A ATOM 29 C LIG 1 -7.215 0.309 -1.482 0.00 0.00 +0.047 A ATOM 30 C LIG 1 -7.412 1.348 -0.569 0.00 0.00 +0.120 A ATOM 31 C LIG 1 -6.306 2.063 -0.091 0.00 0.00 +0.047 A ATOM 32 C LIG 1 -5.016 1.754 -0.525 0.00 0.00 +0.032 A BRANCH 30 33 ATOM 33 O LIG 1 -8.617 1.765 -0.071 0.00 0.00 -0.495 OA ATOM 34 C LIG 1 -9.779 1.087 -0.538 0.00 0.00 +0.277 C ENDBRANCH 30 33 ENDBRANCH 24 27 ENDBRANCH 23 24 BRANCH 23 35 ATOM 35 C LIG 1 -2.960 -1.651 -0.201 0.00 0.00 +0.203 C ATOM 36 C LIG 1 -2.157 -2.841 -0.717 0.00 0.00 +0.042 C BRANCH 35 37 ATOM 37 C LIG 1 -3.135 -1.657 1.310 0.00 0.00 +0.327 C ATOM 38 O LIG 1 -3.974 -1.013 1.928 0.00 0.00 -0.249 OA BRANCH 37 39 ATOM 39 O LIG 1 -2.241 -2.406 1.984 0.00 0.00 -0.479 OA ATOM 40 H LIG 1 -2.426 -2.219 2.927 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 35 37 ENDBRANCH 23 35 ENDBRANCH 7 23 TORSDOF 11