REMARK Name = BDB038873 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.035 -0.818 0.018 0.00 0.00 +0.096 A ATOM 2 C LIG 1 -1.200 -0.049 -0.070 0.00 0.00 +0.074 A ATOM 3 N LIG 1 -1.376 1.316 -0.150 0.00 0.00 -0.352 N ATOM 4 H LIG 1 -0.624 1.990 -0.171 0.00 0.00 +0.166 HD ATOM 5 C LIG 1 -2.709 1.642 -0.211 0.00 0.00 +0.048 A ATOM 6 C LIG 1 -3.423 0.446 -0.197 0.00 0.00 +0.008 A ATOM 7 C LIG 1 -4.831 0.500 -0.260 0.00 0.00 +0.010 A ATOM 8 C LIG 1 -5.468 1.745 -0.332 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -4.725 2.923 -0.344 0.00 0.00 +0.002 A ATOM 10 C LIG 1 -3.329 2.895 -0.285 0.00 0.00 +0.026 A ATOM 11 C LIG 1 -2.471 -0.620 -0.123 0.00 0.00 +0.012 A ATOM 12 C LIG 1 -2.579 -2.018 -0.096 0.00 0.00 +0.045 A ATOM 13 CA LIG 1 -1.390 -2.734 -0.035 0.00 0.00 +0.149 A ATOM 14 N LIG 1 -0.156 -2.170 0.015 0.00 0.00 -0.238 NA ENDROOT BRANCH 1 18 ATOM 15 C LIG 1 3.929 0.766 0.233 0.00 0.00 +0.105 A ATOM 16 C LIG 1 2.954 1.238 1.113 0.00 0.00 +0.029 A ATOM 17 C LIG 1 1.657 0.719 1.044 0.00 0.00 +0.012 A ATOM 18 C LIG 1 1.317 -0.263 0.095 0.00 0.00 +0.003 A ATOM 19 C LIG 1 2.322 -0.721 -0.775 0.00 0.00 +0.012 A ATOM 20 C LIG 1 3.619 -0.207 -0.719 0.00 0.00 +0.029 A BRANCH 15 21 ATOM 21 S LIG 1 5.579 1.410 0.306 0.00 0.00 +0.056 S ATOM 22 O LIG 1 6.115 1.436 -1.033 0.00 0.00 -0.153 OA ATOM 23 O LIG 1 5.578 2.571 1.168 0.00 0.00 -0.153 OA BRANCH 21 24 ATOM 24 N LIG 1 6.375 0.205 1.170 0.00 0.00 -0.204 NA ATOM 25 H LIG 1 6.694 0.590 2.061 0.00 0.00 +0.144 HD ATOM 26 H LIG 1 5.816 -0.638 1.298 0.00 0.00 +0.144 HD ENDBRANCH 21 24 ENDBRANCH 15 21 ENDBRANCH 1 18 BRANCH 13 27 ATOM 27 C LIG 1 -1.470 -4.225 -0.024 0.00 0.00 +0.355 C ATOM 28 O LIG 1 -2.498 -4.881 -0.049 0.00 0.00 -0.243 OA BRANCH 27 29 ATOM 29 OXT LIG 1 -0.266 -4.829 0.014 0.00 0.00 -0.476 OA ATOM 30 HXT LIG 1 -0.469 -5.785 0.017 0.00 0.00 +0.295 HD ENDBRANCH 27 29 ENDBRANCH 13 27 TORSDOF 5