REMARK Name = BDB025963 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.446 0.043 0.997 0.00 0.00 +0.016 A ATOM 2 C LIG 1 1.244 -1.268 0.544 0.00 0.00 +0.133 A ATOM 3 F LIG 1 2.273 -2.124 0.450 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.020 -1.739 0.192 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.132 -0.900 0.287 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -0.948 0.427 0.743 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.326 0.889 1.085 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -2.443 -1.317 -0.062 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -2.592 -1.465 -1.533 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -3.970 -2.100 -1.882 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -5.095 -1.109 -1.525 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -4.119 -3.469 -1.316 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -5.494 -3.921 -1.178 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -3.212 -3.731 -0.169 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -3.602 -4.918 0.722 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -2.936 -2.483 0.717 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 19 ATOM 17 N LIG 1 5.113 1.050 0.645 0.00 0.00 -0.295 N ATOM 18 C LIG 1 3.930 0.223 0.377 0.00 0.00 +0.143 C ATOM 19 C LIG 1 2.799 0.547 1.344 0.00 0.00 -0.024 C ATOM 20 C LIG 1 2.983 1.272 2.465 0.00 0.00 -0.020 C ATOM 21 C LIG 1 4.327 1.825 2.840 0.00 0.00 +0.046 C ATOM 22 C LIG 1 5.483 1.198 2.052 0.00 0.00 +0.112 C BRANCH 17 26 ATOM 23 C LIG 1 8.283 0.252 -1.919 0.00 0.00 +0.156 A ATOM 24 C LIG 1 6.975 -0.035 -2.226 0.00 0.00 +0.161 A ATOM 25 N LIG 1 5.928 0.205 -1.406 0.00 0.00 -0.219 NA ATOM 26 C LIG 1 6.181 0.761 -0.208 0.00 0.00 +0.218 A ATOM 27 N LIG 1 7.432 1.074 0.177 0.00 0.00 -0.219 NA ATOM 28 C LIG 1 8.447 0.816 -0.679 0.00 0.00 +0.161 A BRANCH 23 30 ATOM 29 C LIG 1 10.572 0.288 -2.503 0.00 0.00 +0.277 C ATOM 30 O LIG 1 9.231 -0.046 -2.844 0.00 0.00 -0.492 OA ENDBRANCH 23 30 ENDBRANCH 17 26 ENDBRANCH 1 19 BRANCH 6 31 ATOM 31 N LIG 1 -2.121 1.206 0.817 0.00 0.00 -0.280 N ATOM 32 H LIG 1 -2.938 0.684 0.502 0.00 0.00 +0.155 HD ATOM 33 C LIG 1 -2.266 2.484 1.290 0.00 0.00 +0.250 C ATOM 34 O LIG 1 -1.409 3.208 1.779 0.00 0.00 -0.270 OA BRANCH 33 35 ATOM 35 C LIG 1 -3.678 2.954 1.218 0.00 0.00 +0.065 A ATOM 36 C LIG 1 -4.356 3.294 -0.027 0.00 0.00 +0.073 A ATOM 37 C LIG 1 -5.638 3.708 0.015 0.00 0.00 +0.083 A ATOM 38 C LIG 1 -6.356 3.819 1.310 0.00 0.00 +0.249 A ATOM 39 O LIG 1 -7.525 4.177 1.356 0.00 0.00 -0.268 OA ATOM 40 N LIG 1 -5.625 3.496 2.426 0.00 0.00 -0.328 N ATOM 41 H LIG 1 -6.109 3.590 3.312 0.00 0.00 +0.168 HD ATOM 42 C LIG 1 -4.318 3.079 2.392 0.00 0.00 +0.099 A BRANCH 36 43 ATOM 43 C LIG 1 -3.593 3.207 -1.312 0.00 0.00 +0.418 C ATOM 44 F LIG 1 -3.316 1.919 -1.637 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -2.418 3.877 -1.271 0.00 0.00 -0.166 F ATOM 46 F LIG 1 -4.293 3.716 -2.360 0.00 0.00 -0.166 F ENDBRANCH 36 43 ENDBRANCH 33 35 ENDBRANCH 6 31 TORSDOF 7