REMARK Name = BDB007933 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.429 -0.251 0.744 0.00 0.00 -0.017 A ATOM 2 C LIG 1 -0.973 0.807 1.555 0.00 0.00 +0.006 A ATOM 3 C LIG 1 0.388 0.979 1.834 0.00 0.00 +0.015 A ATOM 4 C LIG 1 1.335 0.115 1.287 0.00 0.00 +0.008 A ATOM 5 C LIG 1 0.907 -0.932 0.471 0.00 0.00 +0.015 A ATOM 6 C LIG 1 -0.453 -1.106 0.192 0.00 0.00 +0.006 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 -2.945 -0.398 0.391 0.00 0.00 +0.193 C BRANCH 7 8 ATOM 8 C LIG 1 -3.267 0.683 -0.690 0.00 0.00 -0.017 A ATOM 9 C LIG 1 -3.839 1.926 -0.346 0.00 0.00 +0.005 A ATOM 10 C LIG 1 -4.072 2.909 -1.313 0.00 0.00 +0.000 A ATOM 11 C LIG 1 -3.721 2.682 -2.640 0.00 0.00 +0.000 A ATOM 12 C LIG 1 -3.127 1.478 -3.001 0.00 0.00 +0.000 A ATOM 13 C LIG 1 -2.893 0.494 -2.036 0.00 0.00 +0.005 A ENDBRANCH 7 8 BRANCH 7 14 ATOM 14 C LIG 1 -3.290 -1.827 -0.048 0.00 0.00 +0.221 A ATOM 15 O LIG 1 -3.120 -2.816 0.899 0.00 0.00 -0.446 OA ATOM 16 C LIG 1 -3.482 -3.963 0.266 0.00 0.00 +0.217 A ATOM 17 C LIG 1 -3.844 -3.644 -1.016 0.00 0.00 +0.152 A ATOM 18 N LIG 1 -3.713 -2.294 -1.213 0.00 0.00 -0.220 NA ENDBRANCH 7 14 BRANCH 7 19 ATOM 19 C LIG 1 -3.869 -0.237 1.647 0.00 0.00 +0.331 C ATOM 20 O LIG 1 -3.499 -0.039 2.801 0.00 0.00 -0.249 OA BRANCH 19 22 ATOM 21 C LIG 1 -6.102 -0.214 2.404 0.00 0.00 +0.280 C ATOM 22 O LIG 1 -5.197 -0.330 1.305 0.00 0.00 -0.467 OA ENDBRANCH 19 22 ENDBRANCH 7 19 ENDBRANCH 1 7 BRANCH 4 23 ATOM 23 S LIG 1 3.061 0.350 1.656 0.00 0.00 -0.120 S BRANCH 23 24 ATOM 24 C LIG 1 3.671 0.742 -0.020 0.00 0.00 +0.110 C BRANCH 24 25 ATOM 25 C LIG 1 5.179 0.834 -0.047 0.00 0.00 -0.023 A ATOM 26 C LIG 1 6.025 -0.296 -0.075 0.00 0.00 +0.063 A ATOM 27 C LIG 1 7.421 -0.123 -0.063 0.00 0.00 +0.015 A ATOM 28 C LIG 1 7.981 1.153 -0.017 0.00 0.00 +0.001 A ATOM 29 C LIG 1 7.155 2.271 0.018 0.00 0.00 +0.000 A ATOM 30 C LIG 1 5.769 2.114 0.007 0.00 0.00 +0.005 A BRANCH 26 31 ATOM 31 C LIG 1 5.479 -1.681 -0.137 0.00 0.00 +0.337 C ATOM 32 O LIG 1 4.414 -2.035 -0.606 0.00 0.00 -0.245 OA BRANCH 31 33 ATOM 33 O LIG 1 6.318 -2.578 0.416 0.00 0.00 -0.477 OA ATOM 34 H LIG 1 5.832 -3.426 0.349 0.00 0.00 +0.295 HD ENDBRANCH 31 33 ENDBRANCH 26 31 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 4 23 TORSDOF 10