REMARK Name = BDB026131 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.346 -0.880 -0.219 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.735 0.394 -0.164 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.656 0.518 -0.239 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.481 -0.615 -0.379 0.00 0.00 +0.021 A ATOM 5 C LIG 1 0.850 -1.869 -0.433 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.579 -2.987 -0.575 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.536 -2.009 -0.353 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.438 -3.585 2.141 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.072 -2.900 0.817 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.200 -2.692 -0.128 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.529 -2.601 0.456 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.910 -1.670 -1.171 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -5.590 -0.302 -0.965 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.383 -1.458 -1.379 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.758 -0.952 -0.133 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.242 -1.616 1.107 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.947 -0.479 -0.460 0.00 0.00 +0.003 A ATOM 18 C LIG 1 3.817 -1.321 0.228 0.00 0.00 +0.121 A ATOM 19 N LIG 1 5.173 -1.241 0.201 0.00 0.00 -0.240 NA ATOM 20 C LIG 1 5.749 -0.283 -0.554 0.00 0.00 +0.121 A ATOM 21 C LIG 1 4.956 0.615 -1.267 0.00 0.00 +0.044 A ATOM 22 C LIG 1 3.562 0.515 -1.224 0.00 0.00 +0.013 A BRANCH 20 23 ATOM 23 N LIG 1 7.147 -0.176 -0.589 0.00 0.00 -0.313 N ATOM 24 C LIG 1 7.719 -0.104 -1.950 0.00 0.00 +0.121 C ATOM 25 C LIG 1 9.195 -0.573 -1.985 0.00 0.00 +0.100 C ATOM 26 N LIG 1 9.965 -0.146 -0.803 0.00 0.00 -0.313 NA ATOM 27 H LIG 1 9.840 0.866 -0.724 0.00 0.00 +0.122 HD ATOM 28 C LIG 1 9.351 -0.732 0.413 0.00 0.00 +0.100 C ATOM 29 C LIG 1 7.848 -1.100 0.319 0.00 0.00 +0.121 C ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 30 ATOM 30 N LIG 1 -1.623 1.480 -0.023 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.590 1.164 0.047 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -1.335 2.820 -0.015 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -0.243 3.349 -0.176 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -2.554 3.664 0.146 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -3.378 3.690 1.350 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -4.457 4.498 1.390 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -4.809 5.352 0.228 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -5.798 6.073 0.249 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -3.961 5.272 -0.847 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -4.188 5.870 -1.634 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -2.856 4.458 -0.894 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -2.980 2.849 2.523 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -3.187 1.531 2.277 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -1.678 3.001 2.859 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -3.703 3.143 3.636 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 6