REMARK Name = BDB056834 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.164 -0.443 -0.795 0.00 0.00 +0.081 C ATOM 2 C LIG 1 2.283 -0.980 0.611 0.00 0.00 +0.208 C ATOM 3 O LIG 1 3.343 -1.345 1.106 0.00 0.00 -0.285 OA ATOM 4 C LIG 1 1.027 -1.159 1.370 0.00 0.00 +0.033 A ATOM 5 C LIG 1 -0.155 -0.543 0.951 0.00 0.00 +0.013 A ATOM 6 C LIG 1 -1.356 -0.919 1.562 0.00 0.00 +0.011 A ATOM 7 C LIG 1 -1.360 -1.802 2.647 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -0.167 -2.344 3.113 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -0.092 0.403 -0.186 0.00 0.00 +0.095 C ATOM 10 N LIG 1 -0.799 1.452 -0.477 0.00 0.00 -0.128 NA ATOM 11 C LIG 1 1.027 -2.035 2.466 0.00 0.00 +0.012 A ATOM 12 C LIG 1 1.004 0.128 -1.153 0.00 0.00 +0.057 C ENDROOT BRANCH 10 13 ATOM 13 S LIG 1 -1.871 2.238 0.438 0.00 0.00 +0.099 S ATOM 14 O LIG 1 -1.931 3.612 -0.020 0.00 0.00 -0.146 OA ATOM 15 O LIG 1 -1.635 1.958 1.840 0.00 0.00 -0.146 OA BRANCH 13 16 ATOM 16 C LIG 1 -3.455 1.544 0.012 0.00 0.00 +0.113 A ATOM 17 C LIG 1 -4.428 1.401 1.006 0.00 0.00 +0.037 A ATOM 18 C LIG 1 -5.664 0.814 0.698 0.00 0.00 -0.016 A ATOM 19 C LIG 1 -5.915 0.374 -0.625 0.00 0.00 -0.018 A ATOM 20 C LIG 1 -7.153 -0.213 -0.927 0.00 0.00 +0.008 A ATOM 21 C LIG 1 -8.130 -0.366 0.058 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -7.882 0.067 1.357 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -4.923 0.535 -1.608 0.00 0.00 +0.010 A ATOM 24 C LIG 1 -6.657 0.654 1.676 0.00 0.00 +0.008 A ATOM 25 C LIG 1 -3.694 1.117 -1.295 0.00 0.00 +0.029 A ENDBRANCH 13 16 ENDBRANCH 10 13 BRANCH 1 26 ATOM 26 N LIG 1 3.213 -0.631 -1.690 0.00 0.00 -0.311 N ATOM 27 H LIG 1 2.933 -0.522 -2.663 0.00 0.00 +0.152 HD BRANCH 26 31 ATOM 28 C LIG 1 7.243 0.653 -1.358 0.00 0.00 +0.059 A ATOM 29 C LIG 1 6.316 1.050 -0.391 0.00 0.00 +0.017 A ATOM 30 C LIG 1 4.980 0.640 -0.484 0.00 0.00 +0.024 A ATOM 31 C LIG 1 4.543 -0.163 -1.544 0.00 0.00 +0.031 A ATOM 32 C LIG 1 5.488 -0.564 -2.502 0.00 0.00 +0.024 A ATOM 33 C LIG 1 6.824 -0.159 -2.416 0.00 0.00 +0.017 A BRANCH 28 35 ATOM 34 O LIG 1 9.528 0.751 -2.106 0.00 0.00 -0.245 OA ATOM 35 C LIG 1 8.667 1.060 -1.303 0.00 0.00 +0.337 C BRANCH 35 36 ATOM 36 O LIG 1 8.948 1.841 -0.245 0.00 0.00 -0.477 OA ATOM 37 H LIG 1 9.907 2.022 -0.334 0.00 0.00 +0.295 HD ENDBRANCH 35 36 ENDBRANCH 28 35 ENDBRANCH 26 31 ENDBRANCH 1 26 TORSDOF 6