REMARK Name = BDB062889 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -1.628 0.569 -1.455 0.00 0.00 +0.213 C ENDROOT BRANCH 1 6 ATOM 2 C LIG 1 1.164 -1.979 -0.732 0.00 0.00 +0.010 A ATOM 3 C LIG 1 1.101 -2.785 -1.882 0.00 0.00 +0.125 A ATOM 4 C LIG 1 0.139 -2.515 -2.857 0.00 0.00 +0.046 A ATOM 5 C LIG 1 -0.741 -1.439 -2.708 0.00 0.00 +0.009 A ATOM 6 C LIG 1 -0.666 -0.600 -1.589 0.00 0.00 -0.016 A ATOM 7 C LIG 1 0.283 -0.890 -0.597 0.00 0.00 +0.014 A BRANCH 3 8 ATOM 8 O LIG 1 2.029 -3.790 -1.954 0.00 0.00 -0.495 OA ATOM 9 C LIG 1 1.933 -4.693 -3.050 0.00 0.00 +0.277 C ENDBRANCH 3 8 BRANCH 2 10 ATOM 10 C LIG 1 2.195 -2.232 0.347 0.00 0.00 +0.144 C BRANCH 10 11 ATOM 11 N LIG 1 3.484 -1.612 -0.023 0.00 0.00 -0.186 NA ATOM 12 H LIG 1 3.799 -2.031 -0.903 0.00 0.00 +0.148 HD BRANCH 11 13 ATOM 13 S LIG 1 4.708 -1.862 1.118 0.00 0.00 +0.059 S ATOM 14 O LIG 1 5.442 -3.022 0.661 0.00 0.00 -0.153 OA ATOM 15 O LIG 1 4.140 -1.782 2.444 0.00 0.00 -0.153 OA BRANCH 13 19 ATOM 16 C LIG 1 7.250 1.879 0.499 0.00 0.00 +0.120 A ATOM 17 C LIG 1 5.975 1.977 1.061 0.00 0.00 +0.047 A ATOM 18 C LIG 1 5.200 0.829 1.249 0.00 0.00 +0.032 A ATOM 19 C LIG 1 5.704 -0.418 0.867 0.00 0.00 +0.105 A ATOM 20 C LIG 1 6.978 -0.530 0.311 0.00 0.00 +0.032 A ATOM 21 C LIG 1 7.744 0.623 0.127 0.00 0.00 +0.047 A BRANCH 16 23 ATOM 22 C LIG 1 7.662 4.217 0.638 0.00 0.00 +0.277 C ATOM 23 O LIG 1 8.106 2.920 0.261 0.00 0.00 -0.495 OA ENDBRANCH 16 23 ENDBRANCH 13 19 ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 2 10 ENDBRANCH 1 6 BRANCH 1 24 ATOM 24 N LIG 1 -2.714 0.217 -0.552 0.00 0.00 -0.295 N ATOM 25 H LIG 1 -2.597 0.434 0.433 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 -3.860 -0.382 -1.008 0.00 0.00 +0.246 C ATOM 27 O LIG 1 -4.073 -0.657 -2.181 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 -4.829 -0.770 0.033 0.00 0.00 +0.045 A ATOM 29 C LIG 1 -5.447 0.127 0.894 0.00 0.00 +0.006 A ATOM 30 C LIG 1 -5.447 1.578 1.018 0.00 0.00 -0.006 A ATOM 31 C LIG 1 -6.252 1.949 2.111 0.00 0.00 +0.030 A ATOM 32 C LIG 1 -6.812 0.718 2.698 0.00 0.00 +0.194 C ATOM 33 O LIG 1 -7.554 0.638 3.653 0.00 0.00 -0.287 OA ATOM 34 C LIG 1 -6.464 3.256 2.507 0.00 0.00 +0.012 A ATOM 35 C LIG 1 -5.839 4.252 1.762 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -5.043 3.916 0.652 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -4.852 2.579 0.269 0.00 0.00 +0.009 A ATOM 38 C LIG 1 -6.293 -0.403 1.890 0.00 0.00 +0.031 A ATOM 39 C LIG 1 -6.568 -1.751 2.046 0.00 0.00 +0.012 A ATOM 40 C LIG 1 -5.968 -2.632 1.153 0.00 0.00 +0.001 A ATOM 41 C LIG 1 -5.106 -2.147 0.154 0.00 0.00 +0.014 A ENDBRANCH 26 28 ENDBRANCH 1 24 BRANCH 1 42 ATOM 42 C LIG 1 -0.941 1.867 -0.983 0.00 0.00 +0.330 C ATOM 43 O LIG 1 -1.328 2.542 -0.036 0.00 0.00 -0.249 OA BRANCH 42 44 ATOM 44 OXT LIG 1 0.138 2.232 -1.719 0.00 0.00 -0.479 OA ATOM 45 HXT LIG 1 0.381 1.593 -2.420 0.00 0.00 +0.295 HD ENDBRANCH 42 44 ENDBRANCH 1 42 TORSDOF 11