REMARK Name = BDB026605 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.723 -2.596 0.786 0.00 0.00 +0.077 A ATOM 2 C LIG 1 1.601 -1.814 -0.395 0.00 0.00 +0.010 A ATOM 3 C LIG 1 0.325 -1.285 -0.716 0.00 0.00 +0.025 A ATOM 4 C LIG 1 0.163 -0.519 -1.896 0.00 0.00 +0.012 A ATOM 5 C LIG 1 1.235 -0.243 -2.739 0.00 0.00 +0.001 A ATOM 6 C LIG 1 2.493 -0.729 -2.423 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -0.739 -1.558 0.169 0.00 0.00 +0.149 A ATOM 8 N LIG 1 -0.639 -2.301 1.286 0.00 0.00 -0.236 NA ATOM 9 C LIG 1 2.671 -1.502 -1.273 0.00 0.00 +0.010 A ATOM 10 C LIG 1 0.586 -2.788 1.572 0.00 0.00 +0.138 A ENDROOT BRANCH 1 11 ATOM 11 N LIG 1 2.959 -3.157 1.273 0.00 0.00 -0.204 N ATOM 12 C LIG 1 3.759 -4.036 0.411 0.00 0.00 +0.157 C BRANCH 11 13 ATOM 13 S LIG 1 3.764 -2.321 2.521 0.00 0.00 +0.075 S ATOM 14 O LIG 1 4.932 -3.094 2.892 0.00 0.00 -0.150 OA ATOM 15 O LIG 1 2.793 -1.924 3.519 0.00 0.00 -0.150 OA BRANCH 13 19 ATOM 16 C LIG 1 5.225 1.497 0.468 0.00 0.00 +0.120 A ATOM 17 C LIG 1 6.049 0.367 0.528 0.00 0.00 +0.047 A ATOM 18 C LIG 1 5.617 -0.801 1.160 0.00 0.00 +0.032 A ATOM 19 C LIG 1 4.340 -0.838 1.723 0.00 0.00 +0.109 A ATOM 20 C LIG 1 3.521 0.295 1.701 0.00 0.00 +0.032 A ATOM 21 C LIG 1 3.962 1.458 1.062 0.00 0.00 +0.047 A BRANCH 16 23 ATOM 22 C LIG 1 4.976 3.741 -0.272 0.00 0.00 +0.277 C ATOM 23 O LIG 1 5.770 2.564 -0.192 0.00 0.00 -0.495 OA ENDBRANCH 16 23 ENDBRANCH 13 19 ENDBRANCH 11 13 ENDBRANCH 1 11 BRANCH 7 24 ATOM 24 N LIG 1 -2.026 -0.955 -0.016 0.00 0.00 -0.175 N BRANCH 24 25 ATOM 25 S LIG 1 -2.141 0.506 0.871 0.00 0.00 +0.076 S ATOM 26 O LIG 1 -0.969 1.320 0.616 0.00 0.00 -0.150 OA ATOM 27 O LIG 1 -2.557 0.210 2.226 0.00 0.00 -0.150 OA BRANCH 25 28 ATOM 28 C LIG 1 -3.498 1.348 0.081 0.00 0.00 +0.109 A ATOM 29 C LIG 1 -4.746 1.411 0.707 0.00 0.00 +0.032 A ATOM 30 C LIG 1 -5.805 2.071 0.074 0.00 0.00 +0.047 A ATOM 31 C LIG 1 -5.613 2.679 -1.169 0.00 0.00 +0.120 A ATOM 32 C LIG 1 -4.351 2.632 -1.771 0.00 0.00 +0.047 A ATOM 33 C LIG 1 -3.288 1.975 -1.149 0.00 0.00 +0.032 A BRANCH 31 34 ATOM 34 O LIG 1 -6.563 3.345 -1.893 0.00 0.00 -0.495 OA ATOM 35 C LIG 1 -7.854 3.462 -1.306 0.00 0.00 +0.277 C ENDBRANCH 31 34 ENDBRANCH 25 28 ENDBRANCH 24 25 BRANCH 24 36 ATOM 36 C LIG 1 -3.158 -1.907 0.175 0.00 0.00 +0.253 C BRANCH 36 37 ATOM 37 C LIG 1 -4.339 -1.599 -0.709 0.00 0.00 +0.324 C ATOM 38 O LIG 1 -5.514 -1.749 -0.410 0.00 0.00 -0.249 OA BRANCH 37 39 ATOM 39 O LIG 1 -4.006 -1.167 -1.944 0.00 0.00 -0.479 OA ATOM 40 H LIG 1 -4.867 -0.988 -2.378 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 24 36 ENDBRANCH 7 24 TORSDOF 11