REMARK Name = BDB013537 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.208 -1.328 -1.487 0.00 0.00 -0.028 A ATOM 2 C LIG 1 1.280 -0.223 -2.359 0.00 0.00 -0.046 A ATOM 3 C LIG 1 2.586 0.263 -2.929 0.00 0.00 +0.044 C ATOM 4 C LIG 1 0.104 0.469 -2.676 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -1.128 0.065 -2.159 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -1.227 -1.040 -1.299 0.00 0.00 -0.039 A ATOM 7 C LIG 1 -0.046 -1.727 -0.979 0.00 0.00 +0.009 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 2.447 -2.106 -1.071 0.00 0.00 +0.145 C BRANCH 8 19 ATOM 9 C LIG 1 3.610 0.210 1.728 0.00 0.00 +0.189 C ATOM 10 O LIG 1 4.886 -0.218 2.235 0.00 0.00 -0.486 OA ATOM 11 C LIG 1 5.885 0.066 1.351 0.00 0.00 +0.147 A ATOM 12 C LIG 1 6.048 -0.594 0.137 0.00 0.00 +0.147 A ATOM 13 C LIG 1 7.097 -0.229 -0.719 0.00 0.00 +0.032 A ATOM 14 C LIG 1 7.987 0.780 -0.346 0.00 0.00 +0.002 A ATOM 15 C LIG 1 7.840 1.417 0.884 0.00 0.00 +0.004 A ATOM 16 S LIG 1 4.995 -1.936 -0.326 0.00 0.00 +0.065 S ATOM 17 O LIG 1 5.086 -2.971 0.681 0.00 0.00 -0.153 OA ATOM 18 O LIG 1 5.287 -2.238 -1.714 0.00 0.00 -0.153 OA ATOM 19 N LIG 1 3.413 -1.283 -0.285 0.00 0.00 -0.169 NA ATOM 20 C LIG 1 6.795 1.055 1.734 0.00 0.00 +0.047 A ATOM 21 C LIG 1 2.890 -0.984 1.089 0.00 0.00 +0.154 C BRANCH 9 23 ATOM 22 C LIG 1 3.432 1.948 3.580 0.00 0.00 +0.007 C ATOM 23 C LIG 1 2.793 0.731 2.923 0.00 0.00 +0.042 C ENDBRANCH 9 23 ENDBRANCH 8 19 ENDBRANCH 1 8 BRANCH 6 24 ATOM 24 C LIG 1 -2.609 -1.434 -0.773 0.00 0.00 +0.060 C BRANCH 24 25 ATOM 25 C LIG 1 -3.272 -0.347 0.093 0.00 0.00 -0.036 A ATOM 26 C LIG 1 -2.696 0.235 1.245 0.00 0.00 -0.044 A ATOM 27 C LIG 1 -1.319 -0.095 1.750 0.00 0.00 +0.044 C ATOM 28 C LIG 1 -3.417 1.224 1.940 0.00 0.00 +0.042 A ATOM 29 C LIG 1 -4.685 1.616 1.525 0.00 0.00 +0.128 A ATOM 30 F LIG 1 -5.331 2.554 2.233 0.00 0.00 -0.205 F ATOM 31 C LIG 1 -5.279 1.055 0.401 0.00 0.00 +0.002 A ATOM 32 C LIG 1 -4.567 0.069 -0.299 0.00 0.00 +0.012 A BRANCH 31 33 ATOM 33 C LIG 1 -6.667 1.469 -0.027 0.00 0.00 +0.121 C BRANCH 33 34 ATOM 34 N LIG 1 -6.758 1.829 -1.456 0.00 0.00 -0.304 NA ATOM 35 C LIG 1 -6.074 3.097 -1.726 0.00 0.00 +0.104 C ATOM 36 C LIG 1 -8.163 1.931 -1.856 0.00 0.00 +0.104 C ENDBRANCH 33 34 ENDBRANCH 31 33 ENDBRANCH 24 25 BRANCH 24 37 ATOM 37 C LIG 1 -2.744 -2.799 -0.075 0.00 0.00 +0.133 C BRANCH 37 38 ATOM 38 C LIG 1 -2.574 -3.924 -1.056 0.00 0.00 +0.306 C ATOM 39 O LIG 1 -3.211 -4.097 -2.081 0.00 0.00 -0.251 OA BRANCH 38 40 ATOM 40 O LIG 1 -1.619 -4.800 -0.685 0.00 0.00 -0.481 OA ATOM 41 H LIG 1 -1.629 -5.474 -1.398 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 37 38 ENDBRANCH 24 37 ENDBRANCH 6 24 TORSDOF 10