REMARK Name = BDB062883 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -2.732 -0.824 1.308 0.00 0.00 +0.213 C ENDROOT BRANCH 1 4 ATOM 2 C LIG 1 0.937 -0.711 0.161 0.00 0.00 -0.032 A ATOM 3 C LIG 1 -0.237 -1.092 0.829 0.00 0.00 +0.011 A ATOM 4 C LIG 1 -1.446 -0.403 0.622 0.00 0.00 -0.016 A ATOM 5 C LIG 1 -1.461 0.670 -0.282 0.00 0.00 +0.006 A ATOM 6 C LIG 1 -0.299 1.057 -0.949 0.00 0.00 +0.001 A ATOM 7 C LIG 1 0.895 0.372 -0.726 0.00 0.00 +0.005 A BRANCH 2 8 ATOM 8 C LIG 1 2.243 -1.421 0.431 0.00 0.00 +0.141 C BRANCH 8 9 ATOM 9 N LIG 1 3.005 -0.710 1.452 0.00 0.00 -0.186 NA ATOM 10 H LIG 1 2.553 -0.509 2.342 0.00 0.00 +0.148 HD BRANCH 9 11 ATOM 11 S LIG 1 4.638 -1.060 1.594 0.00 0.00 +0.059 S ATOM 12 O LIG 1 5.075 -0.534 2.868 0.00 0.00 -0.153 OA ATOM 13 O LIG 1 4.751 -2.468 1.282 0.00 0.00 -0.153 OA BRANCH 11 18 ATOM 14 C LIG 1 4.973 3.408 -1.321 0.00 0.00 +0.044 C ATOM 15 C LIG 1 5.418 1.998 -1.023 0.00 0.00 -0.045 A ATOM 16 C LIG 1 4.981 1.296 0.122 0.00 0.00 -0.021 A ATOM 17 C LIG 1 4.075 2.011 1.099 0.00 0.00 +0.046 C ATOM 18 C LIG 1 5.399 -0.055 0.299 0.00 0.00 +0.112 A ATOM 19 C LIG 1 6.367 -0.638 -0.566 0.00 0.00 -0.021 A ATOM 20 C LIG 1 6.952 -2.008 -0.313 0.00 0.00 +0.046 C ATOM 21 C LIG 1 6.793 0.089 -1.700 0.00 0.00 -0.045 A ATOM 22 C LIG 1 7.778 -0.471 -2.694 0.00 0.00 +0.044 C ATOM 23 C LIG 1 6.312 1.387 -1.912 0.00 0.00 +0.007 A ENDBRANCH 11 18 ENDBRANCH 9 11 ENDBRANCH 8 9 ENDBRANCH 2 8 ENDBRANCH 1 4 BRANCH 1 24 ATOM 24 N LIG 1 -3.261 -2.022 0.655 0.00 0.00 -0.295 N ATOM 25 H LIG 1 -2.605 -2.773 0.472 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 -4.568 -2.416 0.551 0.00 0.00 +0.246 C ATOM 27 O LIG 1 -4.870 -3.523 0.124 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 -5.626 -1.496 0.984 0.00 0.00 +0.045 A ATOM 29 C LIG 1 -6.040 -0.417 0.217 0.00 0.00 +0.006 A ATOM 30 C LIG 1 -5.654 0.089 -1.091 0.00 0.00 -0.006 A ATOM 31 C LIG 1 -6.378 1.264 -1.360 0.00 0.00 +0.030 A ATOM 32 C LIG 1 -7.269 1.519 -0.211 0.00 0.00 +0.194 C ATOM 33 O LIG 1 -8.039 2.445 -0.075 0.00 0.00 -0.287 OA ATOM 34 C LIG 1 -6.237 2.004 -2.519 0.00 0.00 +0.012 A ATOM 35 C LIG 1 -5.326 1.534 -3.462 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -4.599 0.353 -3.228 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -4.762 -0.379 -2.042 0.00 0.00 +0.009 A ATOM 38 C LIG 1 -7.028 0.428 0.754 0.00 0.00 +0.031 A ATOM 39 C LIG 1 -7.630 0.232 1.986 0.00 0.00 +0.012 A ATOM 40 C LIG 1 -7.224 -0.875 2.728 0.00 0.00 +0.001 A ATOM 41 C LIG 1 -6.230 -1.736 2.233 0.00 0.00 +0.014 A ENDBRANCH 26 28 ENDBRANCH 1 24 BRANCH 1 42 ATOM 42 C LIG 1 -2.542 -1.075 2.813 0.00 0.00 +0.330 C ATOM 43 O LIG 1 -2.257 -2.135 3.351 0.00 0.00 -0.249 OA BRANCH 42 44 ATOM 44 OXT LIG 1 -2.698 0.040 3.560 0.00 0.00 -0.479 OA ATOM 45 HXT LIG 1 -2.524 -0.259 4.478 0.00 0.00 +0.295 HD ENDBRANCH 42 44 ENDBRANCH 1 42 TORSDOF 9