REMARK Name = BDB048470 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.013 -2.738 1.571 0.00 0.00 +0.049 A ATOM 2 C LIG 1 0.274 -1.779 0.585 0.00 0.00 +0.036 A ATOM 3 C LIG 1 0.413 -2.197 -0.755 0.00 0.00 +0.029 A ATOM 4 C LIG 1 0.279 -3.549 -1.048 0.00 0.00 +0.066 A ATOM 5 N LIG 1 0.439 -3.638 -2.402 0.00 0.00 -0.276 N ATOM 6 H LIG 1 0.408 -4.474 -2.974 0.00 0.00 +0.189 HD ATOM 7 N LIG 1 0.641 -2.462 -3.014 0.00 0.00 -0.173 NA ATOM 8 C LIG 1 0.024 -4.524 -0.079 0.00 0.00 +0.029 A ATOM 9 C LIG 1 0.647 -1.562 -2.017 0.00 0.00 +0.100 A ATOM 10 C LIG 1 -0.112 -4.088 1.243 0.00 0.00 +0.026 A ENDROOT BRANCH 9 11 ATOM 11 C LIG 1 0.851 -0.139 -2.291 0.00 0.00 +0.004 A ATOM 12 C LIG 1 1.652 0.649 -1.452 0.00 0.00 +0.033 A ATOM 13 C LIG 1 1.829 2.020 -1.696 0.00 0.00 +0.034 A ATOM 14 C LIG 1 1.203 2.595 -2.802 0.00 0.00 +0.023 A ATOM 15 C LIG 1 0.417 1.815 -3.655 0.00 0.00 +0.002 A ATOM 16 C LIG 1 0.244 0.455 -3.403 0.00 0.00 +0.010 A BRANCH 13 17 ATOM 17 N LIG 1 2.645 2.728 -0.786 0.00 0.00 -0.282 N ATOM 18 H LIG 1 3.031 2.164 -0.034 0.00 0.00 +0.155 HD ATOM 19 C LIG 1 2.955 4.060 -0.800 0.00 0.00 +0.241 C ATOM 20 O LIG 1 2.562 4.891 -1.614 0.00 0.00 -0.270 OA BRANCH 19 21 ATOM 21 C LIG 1 3.869 4.563 0.271 0.00 0.00 +0.074 C ATOM 22 C LIG 1 4.450 4.029 1.354 0.00 0.00 +0.096 C BRANCH 22 23 ATOM 23 C LIG 1 4.350 2.658 1.863 0.00 0.00 +0.330 C ATOM 24 O LIG 1 3.698 1.742 1.401 0.00 0.00 -0.246 OA BRANCH 23 25 ATOM 25 O LIG 1 5.107 2.520 2.962 0.00 0.00 -0.478 OA ATOM 26 H LIG 1 4.996 1.587 3.239 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 19 21 ENDBRANCH 13 17 ENDBRANCH 9 11 BRANCH 1 27 ATOM 27 N LIG 1 -0.199 -2.306 2.911 0.00 0.00 -0.216 N ATOM 28 H LIG 1 0.300 -1.473 3.217 0.00 0.00 +0.174 HD BRANCH 27 29 ATOM 29 S LIG 1 -1.780 -2.327 3.520 0.00 0.00 +0.072 S ATOM 30 O LIG 1 -2.293 -3.680 3.478 0.00 0.00 -0.150 OA ATOM 31 O LIG 1 -1.740 -1.578 4.759 0.00 0.00 -0.150 OA BRANCH 29 36 ATOM 32 C LIG 1 -4.776 1.023 -0.563 0.00 0.00 +0.044 C ATOM 33 C LIG 1 -4.029 0.193 0.441 0.00 0.00 -0.050 A ATOM 34 C LIG 1 -4.048 -1.206 0.356 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -3.374 -1.981 1.301 0.00 0.00 +0.029 A ATOM 36 C LIG 1 -2.674 -1.351 2.333 0.00 0.00 +0.109 A ATOM 37 C LIG 1 -2.677 0.041 2.452 0.00 0.00 +0.029 A ATOM 38 C LIG 1 -3.356 0.809 1.505 0.00 0.00 +0.005 A ENDBRANCH 29 36 ENDBRANCH 27 29 ENDBRANCH 1 27 TORSDOF 8