REMARK Name = BDB013577 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.912 -2.020 -0.403 0.00 0.00 -0.028 A ATOM 2 C LIG 1 -1.082 -2.899 -1.491 0.00 0.00 -0.046 A ATOM 3 C LIG 1 -0.101 -3.983 -1.848 0.00 0.00 +0.044 C ATOM 4 C LIG 1 -2.205 -2.751 -2.325 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -3.175 -1.781 -2.076 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -3.051 -0.930 -0.976 0.00 0.00 -0.039 A ATOM 7 C LIG 1 -1.926 -1.071 -0.148 0.00 0.00 +0.009 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 0.297 -2.035 0.521 0.00 0.00 +0.145 C BRANCH 8 19 ATOM 9 C LIG 1 2.120 1.314 0.423 0.00 0.00 +0.189 C ATOM 10 O LIG 1 3.116 1.403 -0.607 0.00 0.00 -0.486 OA ATOM 11 C LIG 1 4.148 0.519 -0.530 0.00 0.00 +0.147 A ATOM 12 C LIG 1 4.037 -0.864 -0.610 0.00 0.00 +0.147 A ATOM 13 C LIG 1 5.187 -1.665 -0.489 0.00 0.00 +0.032 A ATOM 14 C LIG 1 6.442 -1.080 -0.321 0.00 0.00 +0.002 A ATOM 15 C LIG 1 6.559 0.305 -0.294 0.00 0.00 +0.004 A ATOM 16 S LIG 1 2.505 -1.662 -0.982 0.00 0.00 +0.065 S ATOM 17 O LIG 1 2.068 -1.202 -2.281 0.00 0.00 -0.153 OA ATOM 18 O LIG 1 2.710 -3.076 -0.729 0.00 0.00 -0.153 OA ATOM 19 N LIG 1 1.421 -1.104 0.199 0.00 0.00 -0.169 NA ATOM 20 C LIG 1 5.417 1.099 -0.411 0.00 0.00 +0.047 A ATOM 21 C LIG 1 1.010 0.318 0.068 0.00 0.00 +0.154 C BRANCH 9 23 ATOM 22 C LIG 1 3.396 2.388 2.354 0.00 0.00 +0.007 C ATOM 23 C LIG 1 2.630 1.162 1.871 0.00 0.00 +0.042 C ENDBRANCH 9 23 ENDBRANCH 8 19 ENDBRANCH 1 8 BRANCH 6 24 ATOM 24 C LIG 1 -4.137 0.101 -0.680 0.00 0.00 +0.062 C BRANCH 24 25 ATOM 25 C LIG 1 -3.578 1.486 -0.358 0.00 0.00 -0.004 A ATOM 26 C LIG 1 -2.966 2.215 -1.394 0.00 0.00 +0.128 A ATOM 27 F LIG 1 -2.925 1.702 -2.632 0.00 0.00 -0.205 F ATOM 28 C LIG 1 -2.397 3.469 -1.186 0.00 0.00 +0.057 A ATOM 29 C LIG 1 -2.435 4.036 0.086 0.00 0.00 +0.055 A ATOM 30 C LIG 1 -3.048 3.339 1.131 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -3.616 2.077 0.911 0.00 0.00 +0.008 A BRANCH 29 32 ATOM 32 C LIG 1 -1.848 5.322 0.321 0.00 0.00 +0.099 C ATOM 33 N LIG 1 -1.366 6.359 0.515 0.00 0.00 -0.191 NA ENDBRANCH 29 32 ENDBRANCH 24 25 BRANCH 24 34 ATOM 34 C LIG 1 -5.227 -0.481 0.241 0.00 0.00 +0.133 C BRANCH 34 35 ATOM 35 C LIG 1 -4.754 -1.089 1.540 0.00 0.00 +0.306 C ATOM 36 O LIG 1 -4.759 -0.495 2.609 0.00 0.00 -0.251 OA BRANCH 35 37 ATOM 37 O LIG 1 -4.338 -2.369 1.442 0.00 0.00 -0.481 OA ATOM 38 H LIG 1 -4.303 -2.722 0.530 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 24 34 ENDBRANCH 6 24 TORSDOF 9