REMARK Name = BDB028683 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.475 -0.458 -0.805 0.00 0.00 +0.192 A ATOM 2 C LIG 1 0.566 -0.162 0.112 0.00 0.00 +0.106 A ATOM 3 C LIG 1 0.588 1.218 0.151 0.00 0.00 +0.173 A ATOM 4 C LIG 1 1.464 1.974 0.924 0.00 0.00 +0.055 A ATOM 5 C LIG 1 2.375 1.256 1.716 0.00 0.00 -0.019 A ATOM 6 C LIG 1 2.370 -0.156 1.699 0.00 0.00 +0.052 A ATOM 7 O LIG 1 -0.374 1.707 -0.675 0.00 0.00 -0.353 OA ATOM 8 C LIG 1 1.479 -0.892 0.897 0.00 0.00 +0.135 A ATOM 9 N LIG 1 -1.047 0.655 -1.273 0.00 0.00 -0.060 NA ENDROOT BRANCH 1 10 ATOM 10 N LIG 1 -0.854 -1.747 -1.146 0.00 0.00 -0.196 N ATOM 11 H LIG 1 -0.368 -2.529 -0.709 0.00 0.00 +0.175 HD BRANCH 10 12 ATOM 12 S LIG 1 -2.034 -2.152 -2.239 0.00 0.00 +0.074 S ATOM 13 O LIG 1 -1.838 -1.429 -3.476 0.00 0.00 -0.150 OA ATOM 14 O LIG 1 -2.100 -3.600 -2.236 0.00 0.00 -0.150 OA BRANCH 12 20 ATOM 15 C LIG 1 -5.275 0.093 -1.288 0.00 0.00 +0.157 A ATOM 16 C LIG 1 -5.873 -0.694 -0.295 0.00 0.00 +0.165 A ATOM 17 F LIG 1 -7.009 -0.287 0.292 0.00 0.00 -0.202 F ATOM 18 C LIG 1 -5.318 -1.907 0.108 0.00 0.00 +0.044 A ATOM 19 C LIG 1 -4.137 -2.354 -0.480 0.00 0.00 +0.032 A ATOM 20 C LIG 1 -3.526 -1.570 -1.464 0.00 0.00 +0.112 A ATOM 21 C LIG 1 -4.096 -0.359 -1.883 0.00 0.00 +0.077 A BRANCH 15 23 ATOM 22 C LIG 1 -5.301 2.115 -2.545 0.00 0.00 +0.277 C ATOM 23 O LIG 1 -5.922 1.260 -1.593 0.00 0.00 -0.492 OA ENDBRANCH 15 23 ENDBRANCH 12 20 ENDBRANCH 10 12 ENDBRANCH 1 10 BRANCH 8 24 ATOM 24 O LIG 1 1.417 -2.258 0.827 0.00 0.00 -0.494 OA ATOM 25 C LIG 1 2.494 -2.978 1.421 0.00 0.00 +0.277 C ENDBRANCH 8 24 BRANCH 5 26 ATOM 26 C LIG 1 3.363 1.996 2.592 0.00 0.00 +0.178 C BRANCH 26 27 ATOM 27 N LIG 1 4.731 1.813 2.129 0.00 0.00 -0.267 N ATOM 28 N LIG 1 5.510 0.855 2.678 0.00 0.00 -0.179 NA ATOM 29 C LIG 1 6.673 0.988 2.035 0.00 0.00 +0.134 A ATOM 30 C LIG 1 6.646 2.024 1.084 0.00 0.00 +0.041 A ATOM 31 C LIG 1 5.376 2.544 1.170 0.00 0.00 +0.108 A ENDBRANCH 26 27 ENDBRANCH 5 26 TORSDOF 7