REMARK Name = BDB015470 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.515 -0.692 0.406 0.00 0.00 +0.081 A ATOM 2 N LIG 1 -0.144 -0.634 -0.889 0.00 0.00 -0.194 NA ATOM 3 C LIG 1 1.056 -1.148 -1.208 0.00 0.00 +0.326 A ATOM 4 N LIG 1 1.908 -1.716 -0.348 0.00 0.00 -0.178 NA ATOM 5 C LIG 1 1.494 -1.745 0.919 0.00 0.00 +0.145 A ATOM 6 C LIG 1 0.285 -1.272 1.364 0.00 0.00 +0.073 A ENDROOT BRANCH 1 14 ATOM 7 C LIG 1 -5.330 0.239 -0.898 0.00 0.00 +0.049 C ATOM 8 C LIG 1 -4.168 0.316 0.039 0.00 0.00 +0.015 A ATOM 9 C LIG 1 -4.391 1.029 1.337 0.00 0.00 +0.254 A ATOM 10 O LIG 1 -5.494 1.504 1.595 0.00 0.00 -0.267 OA ATOM 11 N LIG 1 -3.285 1.107 2.183 0.00 0.00 -0.317 N ATOM 12 C LIG 1 -3.418 1.795 3.459 0.00 0.00 +0.152 C ATOM 13 C LIG 1 -2.059 0.544 1.866 0.00 0.00 +0.098 A ATOM 14 C LIG 1 -1.850 -0.123 0.714 0.00 0.00 +0.017 A ATOM 15 C LIG 1 -2.961 -0.210 -0.223 0.00 0.00 +0.020 A ENDBRANCH 1 14 BRANCH 5 16 ATOM 16 N LIG 1 2.441 -2.347 1.769 0.00 0.00 -0.203 N ATOM 17 H LIG 1 3.116 -2.915 1.261 0.00 0.00 +0.175 HD BRANCH 16 18 ATOM 18 S LIG 1 3.117 -1.444 3.001 0.00 0.00 +0.047 S ATOM 19 O LIG 1 2.077 -0.677 3.655 0.00 0.00 -0.155 OA ATOM 20 O LIG 1 3.917 -2.378 3.767 0.00 0.00 -0.155 OA BRANCH 18 21 ATOM 21 C LIG 1 4.271 -0.304 2.196 0.00 0.00 +0.145 C ATOM 22 C LIG 1 3.579 0.896 1.562 0.00 0.00 +0.033 C ATOM 23 C LIG 1 5.190 -1.015 1.209 0.00 0.00 +0.033 C ENDBRANCH 18 21 ENDBRANCH 16 18 ENDBRANCH 5 16 BRANCH 3 24 ATOM 24 O LIG 1 1.486 -1.124 -2.528 0.00 0.00 -0.418 OA BRANCH 24 25 ATOM 25 C LIG 1 0.773 -0.304 -3.362 0.00 0.00 +0.202 A ATOM 26 C LIG 1 0.999 1.070 -3.375 0.00 0.00 +0.168 A ATOM 27 F LIG 1 1.909 1.612 -2.553 0.00 0.00 -0.202 F ATOM 28 C LIG 1 0.289 1.897 -4.242 0.00 0.00 +0.042 A ATOM 29 C LIG 1 -0.653 1.344 -5.113 0.00 0.00 +0.006 A ATOM 30 C LIG 1 -0.873 -0.035 -5.114 0.00 0.00 +0.042 A ATOM 31 C LIG 1 -0.155 -0.850 -4.242 0.00 0.00 +0.168 A ATOM 32 F LIG 1 -0.373 -2.173 -4.256 0.00 0.00 -0.202 F ENDBRANCH 24 25 ENDBRANCH 3 24 TORSDOF 6