REMARK Name = BDB033669 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.299 -0.722 0.664 0.00 0.00 -0.028 A ATOM 2 C LIG 1 -0.125 -2.074 1.020 0.00 0.00 -0.046 A ATOM 3 C LIG 1 -1.207 -2.871 1.694 0.00 0.00 +0.044 C ATOM 4 C LIG 1 1.101 -2.698 0.741 0.00 0.00 +0.004 A ATOM 5 C LIG 1 2.142 -2.001 0.123 0.00 0.00 +0.004 A ATOM 6 C LIG 1 1.988 -0.657 -0.235 0.00 0.00 -0.038 A ATOM 7 C LIG 1 0.765 -0.031 0.049 0.00 0.00 +0.009 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 -1.585 0.044 0.923 0.00 0.00 +0.145 C BRANCH 8 19 ATOM 9 C LIG 1 -4.327 -0.527 -1.100 0.00 0.00 +0.189 C ATOM 10 O LIG 1 -4.688 -0.660 0.283 0.00 0.00 -0.486 OA ATOM 11 C LIG 1 -5.028 0.503 0.917 0.00 0.00 +0.147 A ATOM 12 C LIG 1 -4.413 1.751 0.801 0.00 0.00 +0.147 A ATOM 13 C LIG 1 -4.879 2.837 1.563 0.00 0.00 +0.032 A ATOM 14 C LIG 1 -5.950 2.678 2.441 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -6.552 1.431 2.574 0.00 0.00 +0.004 A ATOM 16 S LIG 1 -2.985 2.057 -0.205 0.00 0.00 +0.065 S ATOM 17 O LIG 1 -3.466 2.419 -1.522 0.00 0.00 -0.153 OA ATOM 18 O LIG 1 -2.122 2.951 0.540 0.00 0.00 -0.153 OA ATOM 19 N LIG 1 -2.185 0.576 -0.325 0.00 0.00 -0.169 NA ATOM 20 C LIG 1 -6.087 0.351 1.822 0.00 0.00 +0.047 A ATOM 21 C LIG 1 -2.796 -0.448 -1.215 0.00 0.00 +0.154 C BRANCH 9 23 ATOM 22 C LIG 1 -4.662 -1.773 -3.312 0.00 0.00 +0.007 C ATOM 23 C LIG 1 -4.884 -1.774 -1.809 0.00 0.00 +0.042 C ENDBRANCH 9 23 ENDBRANCH 8 19 ENDBRANCH 1 8 BRANCH 6 24 ATOM 24 C LIG 1 3.106 0.140 -0.908 0.00 0.00 +0.069 C BRANCH 24 25 ATOM 25 C LIG 1 4.232 0.418 0.084 0.00 0.00 -0.001 A ATOM 26 S LIG 1 4.301 1.937 0.879 0.00 0.00 -0.090 S ATOM 27 C LIG 1 5.719 1.520 1.745 0.00 0.00 +0.055 A ATOM 28 C LIG 1 6.131 0.239 1.432 0.00 0.00 +0.019 A ATOM 29 C LIG 1 5.279 -0.393 0.479 0.00 0.00 +0.012 A BRANCH 27 30 ATOM 30 C LIG 1 6.310 2.490 2.662 0.00 0.00 +0.167 C ATOM 31 O LIG 1 5.870 3.626 2.849 0.00 0.00 -0.292 OA ATOM 32 C LIG 1 7.544 2.046 3.413 0.00 0.00 +0.092 C ENDBRANCH 27 30 ENDBRANCH 24 25 BRANCH 24 33 ATOM 33 C LIG 1 3.615 -0.521 -2.214 0.00 0.00 +0.107 C ATOM 34 C LIG 1 2.507 -0.741 -3.250 0.00 0.00 +0.020 C BRANCH 33 35 ATOM 35 C LIG 1 4.701 0.321 -2.842 0.00 0.00 +0.308 C ATOM 36 O LIG 1 5.854 -0.034 -3.029 0.00 0.00 -0.251 OA BRANCH 35 37 ATOM 37 O LIG 1 4.294 1.548 -3.215 0.00 0.00 -0.480 OA ATOM 38 H LIG 1 5.098 1.974 -3.580 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 33 35 ENDBRANCH 24 33 ENDBRANCH 6 24 TORSDOF 9