REMARK Name = BDB019477 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.726 -0.584 -2.343 0.00 0.00 -0.222 N ATOM 2 C LIG 1 -1.261 0.521 -1.655 0.00 0.00 +0.073 A ATOM 3 C LIG 1 0.131 0.348 -1.530 0.00 0.00 +0.017 A ATOM 4 C LIG 1 0.860 1.364 -0.865 0.00 0.00 +0.047 A ATOM 5 C LIG 1 0.208 2.494 -0.343 0.00 0.00 +0.022 A ATOM 6 C LIG 1 -1.173 2.658 -0.469 0.00 0.00 -0.014 A ATOM 7 C LIG 1 0.464 -0.922 -2.123 0.00 0.00 -0.023 A ATOM 8 C LIG 1 1.804 -1.564 -2.217 0.00 0.00 +0.046 C ATOM 9 C LIG 1 -1.911 1.662 -1.136 0.00 0.00 +0.036 A ATOM 10 C LIG 1 -0.713 -1.469 -2.592 0.00 0.00 +0.116 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -1.842 3.849 0.075 0.00 0.00 +0.000 A ATOM 12 C LIG 1 -2.942 3.756 0.927 0.00 0.00 +0.121 A ATOM 13 N LIG 1 -3.602 4.811 1.466 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 -3.160 6.036 1.147 0.00 0.00 +0.116 A ATOM 15 C LIG 1 -2.071 6.247 0.316 0.00 0.00 +0.044 A ATOM 16 C LIG 1 -1.410 5.144 -0.225 0.00 0.00 +0.013 A BRANCH 14 17 ATOM 17 N LIG 1 -3.834 7.111 1.721 0.00 0.00 -0.343 N ATOM 18 H LIG 1 -4.149 7.768 1.018 0.00 0.00 +0.144 HD ATOM 19 H LIG 1 -4.611 6.720 2.248 0.00 0.00 +0.144 HD ENDBRANCH 14 17 ENDBRANCH 6 11 BRANCH 4 20 ATOM 20 C LIG 1 2.324 1.268 -0.698 0.00 0.00 +0.245 C ATOM 21 N LIG 1 2.753 1.290 0.608 0.00 0.00 -0.307 N ATOM 22 H LIG 1 2.075 1.205 1.358 0.00 0.00 +0.149 HD ATOM 23 O LIG 1 3.059 1.175 -1.671 0.00 0.00 -0.270 OA BRANCH 21 24 ATOM 24 C LIG 1 4.134 1.050 0.965 0.00 0.00 +0.145 C BRANCH 24 25 ATOM 25 C LIG 1 4.349 -0.421 1.169 0.00 0.00 +0.037 A ATOM 26 C LIG 1 3.732 -0.971 2.421 0.00 0.00 +0.254 A ATOM 27 O LIG 1 3.062 -0.273 3.178 0.00 0.00 -0.268 OA ATOM 28 N LIG 1 3.939 -2.303 2.678 0.00 0.00 -0.326 N ATOM 29 H LIG 1 3.516 -2.651 3.529 0.00 0.00 +0.169 HD ATOM 30 C LIG 1 4.644 -3.150 1.861 0.00 0.00 +0.016 A ATOM 31 C LIG 1 4.757 -4.579 2.293 0.00 0.00 +0.063 C ATOM 32 C LIG 1 5.186 -2.666 0.734 0.00 0.00 +0.024 A ATOM 33 C LIG 1 5.045 -1.262 0.370 0.00 0.00 -0.039 A ATOM 34 C LIG 1 5.713 -0.889 -0.925 0.00 0.00 +0.044 C ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 4 20 BRANCH 1 35 ATOM 35 S LIG 1 -3.364 -1.021 -2.569 0.00 0.00 +0.061 S ATOM 36 O LIG 1 -4.126 0.211 -2.590 0.00 0.00 -0.152 OA ATOM 37 O LIG 1 -3.354 -1.911 -3.717 0.00 0.00 -0.152 OA BRANCH 35 38 ATOM 38 C LIG 1 -3.914 -1.973 -1.114 0.00 0.00 +0.112 C ATOM 39 C LIG 1 -5.053 -2.923 -1.415 0.00 0.00 +0.034 C ATOM 40 C LIG 1 -3.659 -3.460 -1.189 0.00 0.00 +0.034 C BRANCH 38 41 ATOM 41 C LIG 1 -3.810 -1.182 0.153 0.00 0.00 +0.058 C BRANCH 41 43 ATOM 42 C LIG 1 -3.550 -2.190 2.446 0.00 0.00 +0.004 C ATOM 43 C LIG 1 -4.323 -1.829 1.414 0.00 0.00 -0.032 C ENDBRANCH 41 43 ENDBRANCH 38 41 ENDBRANCH 35 38 ENDBRANCH 1 35 TORSDOF 9