REMARK Name = BDB053822 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.795 3.080 4.563 0.00 0.00 +0.045 C ATOM 2 C LIG 1 -4.505 2.789 3.843 0.00 0.00 -0.029 A ATOM 3 C LIG 1 -4.378 1.710 2.939 0.00 0.00 +0.037 A ATOM 4 C LIG 1 -3.139 1.538 2.295 0.00 0.00 +0.046 A ATOM 5 C LIG 1 -2.042 2.378 2.536 0.00 0.00 +0.035 A ATOM 6 C LIG 1 -2.184 3.425 3.438 0.00 0.00 +0.024 A ATOM 7 C LIG 1 -3.404 3.627 4.087 0.00 0.00 +0.007 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -0.854 2.103 1.824 0.00 0.00 -0.281 N ATOM 9 H LIG 1 -0.897 1.303 1.206 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 0.363 2.750 1.932 0.00 0.00 +0.248 C ATOM 11 O LIG 1 0.654 3.640 2.723 0.00 0.00 -0.270 OA BRANCH 10 12 ATOM 12 C LIG 1 1.419 2.259 1.000 0.00 0.00 +0.037 A ATOM 13 C LIG 1 2.749 2.267 1.437 0.00 0.00 +0.013 A ATOM 14 C LIG 1 3.769 1.812 0.598 0.00 0.00 +0.005 A ATOM 15 C LIG 1 3.474 1.350 -0.692 0.00 0.00 -0.033 A ATOM 16 C LIG 1 2.141 1.363 -1.131 0.00 0.00 +0.005 A ATOM 17 C LIG 1 1.119 1.818 -0.295 0.00 0.00 +0.013 A BRANCH 15 18 ATOM 18 C LIG 1 4.578 0.863 -1.609 0.00 0.00 +0.119 C BRANCH 18 19 ATOM 19 N LIG 1 4.412 -0.538 -2.024 0.00 0.00 -0.296 NA ATOM 20 C LIG 1 4.513 -1.458 -0.867 0.00 0.00 +0.100 C ATOM 21 C LIG 1 4.953 -2.880 -1.273 0.00 0.00 +0.099 C ATOM 22 N LIG 1 6.322 -2.907 -1.829 0.00 0.00 -0.303 NA ATOM 23 C LIG 1 6.521 -4.107 -2.637 0.00 0.00 +0.105 C ATOM 24 C LIG 1 6.621 -1.675 -2.585 0.00 0.00 +0.099 C ATOM 25 C LIG 1 5.376 -0.907 -3.083 0.00 0.00 +0.100 C ENDBRANCH 18 19 ENDBRANCH 15 18 ENDBRANCH 10 12 ENDBRANCH 5 8 BRANCH 3 26 ATOM 26 N LIG 1 -5.494 0.888 2.667 0.00 0.00 -0.293 N ATOM 27 H LIG 1 -6.234 0.950 3.351 0.00 0.00 +0.154 HD BRANCH 26 28 ATOM 28 C LIG 1 -5.673 -0.018 1.676 0.00 0.00 +0.163 A ATOM 29 S LIG 1 -7.102 -0.993 1.692 0.00 0.00 -0.060 S ATOM 30 C LIG 1 -6.600 -1.764 0.247 0.00 0.00 +0.077 A ATOM 31 C LIG 1 -5.391 -1.246 -0.169 0.00 0.00 +0.082 A ATOM 32 N LIG 1 -4.885 -0.249 0.650 0.00 0.00 -0.225 NA BRANCH 31 33 ATOM 33 C LIG 1 -4.667 -1.658 -1.363 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -3.653 -0.849 -1.873 0.00 0.00 +0.120 A ATOM 35 N LIG 1 -2.910 -1.141 -2.971 0.00 0.00 -0.263 NA ATOM 36 C LIG 1 -3.190 -2.302 -3.597 0.00 0.00 +0.111 A ATOM 37 C LIG 1 -4.174 -3.181 -3.175 0.00 0.00 +0.020 A ATOM 38 C LIG 1 -4.920 -2.853 -2.042 0.00 0.00 +0.013 A ENDBRANCH 31 33 ENDBRANCH 26 28 ENDBRANCH 3 26 TORSDOF 7